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/2rqc_rna-4cab2069/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-4cab2069/inputs/seq.fa: 1 curr_seq: _UGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUGUG 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/2rqc_rna-4cab2069/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-4cab2069/inputs/seq.fa: 1 curr_seq: _UGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUGUG 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/2rqc_rna-4cab2069/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-4cab2069/inputs/seq.fa: 1 curr_seq: _UGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUGUG 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/2rqc_rna-4cab2069/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-4cab2069/inputs/seq.fa: 1 curr_seq: _UGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUGUG 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/2rqc_rna-4cab2069/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-4cab2069/inputs/seq.fa: 1 curr_seq: _UGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUGUG 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/2rqc_rna-4cab2069/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-4cab2069/inputs/seq.fa: 1 curr_seq: _UGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUGUG 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/2rqc_rna-4cab2069/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-4cab2069/inputs/seq.fa: 1 curr_seq: _UGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUGUG 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/2rqc_rna-4cab2069/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-4cab2069/inputs/seq.fa: 1 curr_seq: _UGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUGUG 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/2rqc_rna-4cab2069/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-4cab2069/inputs/seq.fa: 1 curr_seq: _UGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUGUG 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/2rqc_rna-4cab2069/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2rqc_rna-4cab2069/inputs/seq.fa: 1 curr_seq: _UGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGUGUG 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: -18.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 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: -18.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 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: -18.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 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: -18.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 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: -18.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 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: -18.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 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: -18.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 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: -18.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 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: -18.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 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: -18.476783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 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: -20.724364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.724364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.724364 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.713296 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -4.087 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -21.582692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.582692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.582692 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.582565 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.582 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -22.228739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.228739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.228739 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -22.133672 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -4.001 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -20.972913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.972913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.972913 (E_RNA) where: Base-Base interactions energy: -2.347 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -18.582096 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -3.409 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -21.982096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.982096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.982096 (E_RNA) where: Base-Base interactions energy: -1.966 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.014655 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.176 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -21.383404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.383404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.383404 (E_RNA) where: Base-Base interactions energy: -5.200 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -16.117961 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -3.488 flat angles P-C4'-P energy: -4.141 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -19.214424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.214424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.214424 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.408 local terms energy: -18.806891 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.294 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -20.837455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.837455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.837455 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.837450 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -3.606 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -19.398426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.398426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.398426 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -19.295116 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: 1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -20.513810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.513810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.513810 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.001 local terms energy: -20.612748 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -23.384104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.384104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.384104 (E_RNA) where: Base-Base interactions energy: -3.859 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.296 local terms energy: -19.229303 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.665 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -22.512127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.512127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.512127 (E_RNA) where: Base-Base interactions energy: -3.556 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.303 local terms energy: -18.653027 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -2.896 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: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -21.944188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.944188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.944188 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.530 local terms energy: -22.474436 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -2.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -22.110502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.110502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.110502 (E_RNA) where: Base-Base interactions energy: 0.363 where: short stacking energy: 0.363 Base-Backbone interact. energy: -0.000 local terms energy: -22.473661 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.034 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -20.383760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.383760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.383760 (E_RNA) where: Base-Base interactions energy: -4.360 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -15.996042 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -3.642 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: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -20.280246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.280246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.280246 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.280118 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -20.998423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.998423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.998423 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.994311 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -4.165 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: 3 Temperature: 1.250000 Total energy: -20.408772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.408772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.408772 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.099 local terms energy: -20.409335 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -3.459 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -20.278358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.278358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.278358 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -20.238933 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -18.108379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.108379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.108379 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.108306 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -21.873971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.873971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.873971 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.871960 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -4.034 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: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -21.999646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.999646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.999646 (E_RNA) where: Base-Base interactions energy: 0.034 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.000 local terms energy: -22.033277 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.730 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: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -22.202330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.202330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.202330 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.202054 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -20.313673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.313673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.313673 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.307065 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -4.087 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: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -19.916517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.916517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.916517 (E_RNA) where: Base-Base interactions energy: -4.651 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.369 local terms energy: -14.897026 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: 2.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -21.706144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.706144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.706144 (E_RNA) where: Base-Base interactions energy: -4.854 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.200 local terms energy: -16.651867 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -3.306 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: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -19.323088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.323088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.323088 (E_RNA) where: Base-Base interactions energy: -1.992 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -17.230670 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: 0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -19.232415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.232415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.232415 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.232411 where: bonds (distance) C4'-P energy: -4.306 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.816 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -19.764515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.764515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.764515 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.758994 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.803 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: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -18.355196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.355196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.355196 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -18.331284 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -3.138 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: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -21.857485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.857485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.857485 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.141 local terms energy: -22.116563 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -4.419 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: 2, replica: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -21.979531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.979531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.979531 (E_RNA) where: Base-Base interactions energy: -5.214 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.194 local terms energy: -16.570961 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -4.235 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: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -22.748263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.748263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.748263 (E_RNA) where: Base-Base interactions energy: -2.312 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -20.405394 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -4.215 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: 4, replica: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -24.601967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.601967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.601967 (E_RNA) where: Base-Base interactions energy: -2.489 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -22.023125 where: bonds (distance) C4'-P energy: -3.908 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -21.350289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.350289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.350289 (E_RNA) where: Base-Base interactions energy: 0.281 where: short stacking energy: 0.281 Base-Backbone interact. energy: -0.000 local terms energy: -21.631175 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -3.871 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: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -20.371491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.371491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.371491 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -20.286114 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -4.542 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: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -21.593473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.593473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.593473 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.588560 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -20.118128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.118128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.118128 (E_RNA) where: Base-Base interactions energy: -1.968 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -18.135082 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: 1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -19.902067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.902067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.902067 (E_RNA) where: Base-Base interactions energy: 0.099 where: short stacking energy: 0.099 Base-Backbone interact. energy: -0.063 local terms energy: -19.937894 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: 0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -20.856575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.856575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.856575 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.836844 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.214 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: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -22.806059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.806059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.806059 (E_RNA) where: Base-Base interactions energy: -5.710 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.457 local terms energy: -17.552838 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -4.388 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: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -22.210676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.210676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.210676 (E_RNA) where: Base-Base interactions energy: -4.525 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -17.593071 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -4.439 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: 3, replica: 6 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -21.413851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.413851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.413851 (E_RNA) where: Base-Base interactions energy: -2.139 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.253764 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.946 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: 6 Temperature: 1.050000 Total energy: -20.067594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.067594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.067594 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.062635 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: 0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -20.520736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.520736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.520736 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -20.441738 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -3.308 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: 6, replica: 2 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -19.092748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.092748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.092748 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -19.008073 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -4.542 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: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -20.385053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.385053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.385053 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.384208 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -2.903 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: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -20.626222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.626222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.626222 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -20.607231 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -20.659868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.659868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.659868 (E_RNA) where: Base-Base interactions energy: -1.278 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -19.355169 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -3.287 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: 10, replica: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -17.922409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.922409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.922409 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -17.887129 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: 1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -21.506118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.506118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.506118 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -21.474694 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.089 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: 2, replica: 6 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -20.645314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.645314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.645314 (E_RNA) where: Base-Base interactions energy: 0.071 where: short stacking energy: 0.071 Base-Backbone interact. energy: -0.041 local terms energy: -20.675262 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -3.557 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: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -22.890136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.890136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.890136 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.890012 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -19.714599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.714599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.714599 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.758 local terms energy: -18.957081 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -4.230 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: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -21.223870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.223870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.223870 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -21.187525 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -21.722682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.722682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.722682 (E_RNA) where: Base-Base interactions energy: -5.082 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -16.538721 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -4.158 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: 7, replica: 2 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -22.393576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.393576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.393576 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -22.326709 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -20.412805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.412805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.412805 (E_RNA) where: Base-Base interactions energy: -3.836 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.694 local terms energy: -14.882282 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -3.187 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: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -21.925450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.925450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.925450 (E_RNA) where: Base-Base interactions energy: -6.047 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.161 local terms energy: -17.039590 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -1.931 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: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -19.225214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.225214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.225214 (E_RNA) where: Base-Base interactions energy: -2.232 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -16.893268 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: 1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -20.920071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.920071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.920071 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.916974 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -3.775 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: 2, replica: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -24.800165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.800165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.800165 (E_RNA) where: Base-Base interactions energy: -4.158 where: short stacking energy: 0.175 Base-Backbone interact. energy: -0.002 local terms energy: -20.640296 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -3.377 flat angles C4'-P-C4' energy: -3.765 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -21.696216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.696216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.696216 (E_RNA) where: Base-Base interactions energy: -4.591 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.199 local terms energy: -16.906375 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.972 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: 9 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -19.908802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.908802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.908802 (E_RNA) where: Base-Base interactions energy: -1.057 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.174 local terms energy: -18.678356 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: 0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -21.102586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.102586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.102586 (E_RNA) where: Base-Base interactions energy: -0.929 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.226 local terms energy: -18.947634 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -2.776 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: 6, replica: 1 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -21.953582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.953582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.953582 (E_RNA) where: Base-Base interactions energy: -4.354 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -17.519730 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -2.722 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: 4 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -20.848413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.848413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.848413 (E_RNA) where: Base-Base interactions energy: -3.918 where: short stacking energy: 0.255 Base-Backbone interact. energy: -0.065 local terms energy: -16.865857 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.696 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: 0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -20.611720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.611720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.611720 (E_RNA) where: Base-Base interactions energy: 0.566 where: short stacking energy: 0.566 Base-Backbone interact. energy: -0.000 local terms energy: -21.177759 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -18.590204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.590204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.590204 (E_RNA) where: Base-Base interactions energy: -0.234 where: short stacking energy: 0.275 Base-Backbone interact. energy: -0.098 local terms energy: -18.258034 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -19.342345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.342345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.342345 (E_RNA) where: Base-Base interactions energy: -1.091 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -18.182796 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -2.830 tors. eta vs tors. theta energy: -0.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -20.782334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.782334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.782334 (E_RNA) where: Base-Base interactions energy: -1.263 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -19.490215 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -23.130935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.130935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.130935 (E_RNA) where: Base-Base interactions energy: -3.982 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.138927 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: 0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -22.878486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.878486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.878486 (E_RNA) where: Base-Base interactions energy: -4.621 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.225 local terms energy: -18.032282 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: 1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -26.222097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.222097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.222097 (E_RNA) where: Base-Base interactions energy: -6.961 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -19.138799 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.870 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: 5, replica: 9 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -20.900058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.900058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.900058 (E_RNA) where: Base-Base interactions energy: 0.124 where: short stacking energy: 0.124 Base-Backbone interact. energy: -0.000 local terms energy: -21.023325 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -3.745 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: 6, replica: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -20.169267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.169267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.169267 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.078 local terms energy: -20.491515 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.395 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: 7, replica: 1 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -19.272519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.272519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.272519 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.264190 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: -0.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -18.962616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.962616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.962616 (E_RNA) where: Base-Base interactions energy: 0.176 where: short stacking energy: 0.176 Base-Backbone interact. energy: -0.033 local terms energy: -19.104989 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -2.733 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: 9, replica: 2 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -19.945603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.945603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.945603 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.941232 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -2.515 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: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -21.050952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.050952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.050952 (E_RNA) where: Base-Base interactions energy: -0.566 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -20.438877 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -3.747 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -2.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -20.447835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.447835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.447835 (E_RNA) where: Base-Base interactions energy: -2.293 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.154313 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -20.648265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.648265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.648265 (E_RNA) where: Base-Base interactions energy: -1.320 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -19.202670 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: 0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -20.662480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.662480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.662480 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.662039 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -21.279554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.279554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.279554 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.279550 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.226 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: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -22.288633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.288633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.288633 (E_RNA) where: Base-Base interactions energy: -4.826 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -17.441398 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -1.674 tors. eta vs tors. theta energy: 0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -20.029276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.029276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.029276 (E_RNA) where: Base-Base interactions energy: 0.856 where: short stacking energy: 0.856 Base-Backbone interact. energy: -0.012 local terms energy: -20.873129 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -2.879 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: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -21.707093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.707093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.707093 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -21.685056 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -4.239 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: 8, replica: 1 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -19.229394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.229394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.229394 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -19.107701 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -3.543 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: 10 Temperature: 1.300000 Total energy: -20.188056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.188056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.188056 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.183 local terms energy: -20.004843 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: 0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -20.887593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.887593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.887593 (E_RNA) where: Base-Base interactions energy: -5.159 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.653 local terms energy: -16.381170 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: 2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -22.632501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.632501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.632501 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -22.546721 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -22.133729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.133729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.133729 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -22.127935 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -19.942352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.942352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.942352 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.858703 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -3.900 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: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -20.952861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.952861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.952861 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.952853 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -19.862779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.862779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.862779 (E_RNA) where: Base-Base interactions energy: 0.690 where: short stacking energy: 0.690 Base-Backbone interact. energy: -0.000 local terms energy: -20.552934 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -3.870 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: 6, replica: 9 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -21.004401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.004401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.004401 (E_RNA) where: Base-Base interactions energy: 0.240 where: short stacking energy: 0.134 Base-Backbone interact. energy: -0.000 local terms energy: -21.244550 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -21.001150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.001150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.001150 (E_RNA) where: Base-Base interactions energy: -2.522 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.833 local terms energy: -17.646331 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: 0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -20.407224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.407224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.407224 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.398543 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -18.202964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.202964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.202964 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -18.096032 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -19.032043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.032043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.032043 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.024184 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.227 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: 10 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -21.441902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.441902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.441902 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.170 local terms energy: -21.572342 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.102 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: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -21.973017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.973017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.973017 (E_RNA) where: Base-Base interactions energy: -4.037 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.046 local terms energy: -17.982902 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: 1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -22.423065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.423065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.423065 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.000 local terms energy: -22.447275 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -2.080 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: 4, replica: 6 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -22.309885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.309885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.309885 (E_RNA) where: Base-Base interactions energy: -3.605 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -18.652475 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: 0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -20.143513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.143513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.143513 (E_RNA) where: Base-Base interactions energy: -4.015 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -16.121514 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -2.973 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: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -19.059505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.059505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.059505 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.058528 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: 0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -19.698471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.698471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.698471 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.686526 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -18.803158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.803158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.803158 (E_RNA) where: Base-Base interactions energy: -0.053 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -18.708595 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -19.159727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.159727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.159727 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.159717 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: 0.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -21.705336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.705336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.705336 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.705310 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.686 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: 10 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -22.250939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.250939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.250939 (E_RNA) where: Base-Base interactions energy: -2.254 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -19.864616 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: 0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -21.306292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.306292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.306292 (E_RNA) where: Base-Base interactions energy: -2.676 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.621974 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -21.554995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.554995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.554995 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -21.474080 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.726 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: 4, replica: 9 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -20.977495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.977495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.977495 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.977353 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.470 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -21.497558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.497558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.497558 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.495954 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -1.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -20.223812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.223812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.223812 (E_RNA) where: Base-Base interactions energy: -4.648 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -15.504266 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -4.007 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: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -20.143533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.143533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.143533 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -20.089676 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -24.399857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.399857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.399857 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -24.399857 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -18.687792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.687792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.687792 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -18.593824 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -2.827 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: 13 Temperature: 1.350000 Total energy: -18.959177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.959177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.959177 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.959095 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.408 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: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -23.217160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.217160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.217160 (E_RNA) where: Base-Base interactions energy: -2.602 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.333 local terms energy: -20.282335 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.291 flat angles P-C4'-P energy: -3.397 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: 10 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -21.447840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.447840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.447840 (E_RNA) where: Base-Base interactions energy: 0.759 where: short stacking energy: 0.759 Base-Backbone interact. energy: -0.004 local terms energy: -22.202979 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -4.273 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: 3, replica: 9 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -21.542381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.542381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.542381 (E_RNA) where: Base-Base interactions energy: -3.087 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.455381 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: 0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -19.476824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.476824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.476824 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.476798 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -1.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -21.049446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.049446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.049446 (E_RNA) where: Base-Base interactions energy: -4.074 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -16.919752 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -3.946 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: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -19.202951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.202951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.202951 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.104221 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -3.152 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: 7, replica: 2 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -20.281838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.281838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.281838 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.280337 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -20.158644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.158644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.158644 (E_RNA) where: Base-Base interactions energy: -2.404 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -17.727000 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -2.452 tors. eta vs tors. theta energy: 0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -20.206022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.206022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.206022 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -20.181303 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: 0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -18.362169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.362169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.362169 (E_RNA) where: Base-Base interactions energy: -3.873 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -14.483750 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -2.666 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -0.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -23.010735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.010735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.010735 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.010468 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -2.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -21.988370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.988370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.988370 (E_RNA) where: Base-Base interactions energy: -1.763 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -20.152115 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -22.430341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.430341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.430341 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.429782 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -4.801 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: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -21.302954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.302954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.302954 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -21.206304 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -20.942396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.942396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.942396 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.938860 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -20.227450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.227450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.227450 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -20.153145 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: 0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -20.116945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.116945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.116945 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.116875 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -4.086 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: 8, replica: 1 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -19.114365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.114365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.114365 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -19.059590 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -20.815163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.815163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.815163 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -20.717042 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -20.620573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.620573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.620573 (E_RNA) where: Base-Base interactions energy: -5.466 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -15.054701 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: 1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -22.241779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.241779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.241779 (E_RNA) where: Base-Base interactions energy: -5.411 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -16.672082 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -3.353 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: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -20.771323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.771323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.771323 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.771228 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -21.239770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.239770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.239770 (E_RNA) where: Base-Base interactions energy: -1.728 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.510777 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -19.610539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.610539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.610539 (E_RNA) where: Base-Base interactions energy: -4.194 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -15.302787 where: bonds (distance) C4'-P energy: -3.296 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: 2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -20.882032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.882032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.882032 (E_RNA) where: Base-Base interactions energy: -1.372 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.503061 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -20.950175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.950175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.950175 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.950175 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -19.635088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.635088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.635088 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -19.475738 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: 0.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -20.336005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.336005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.336005 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.119 local terms energy: -20.217472 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -0.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -22.187418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.187418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.187418 (E_RNA) where: Base-Base interactions energy: -2.313 where: short stacking energy: 0.190 Base-Backbone interact. energy: -0.000 local terms energy: -19.873982 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -1.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -21.905501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.905501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.905501 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.052 local terms energy: -21.957266 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -21.985020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.985020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.985020 (E_RNA) where: Base-Base interactions energy: 0.138 where: short stacking energy: 0.138 Base-Backbone interact. energy: -0.000 local terms energy: -22.122481 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.000 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.023 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: 2, replica: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -21.286514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.286514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.286514 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -21.272833 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -4.598 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: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -20.171023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.171023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.171023 (E_RNA) where: Base-Base interactions energy: -4.169 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.273 local terms energy: -15.729100 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: 3.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -19.674508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.674508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.674508 (E_RNA) where: Base-Base interactions energy: 0.623 where: short stacking energy: 0.623 Base-Backbone interact. energy: -0.001 local terms energy: -20.296109 where: bonds (distance) C4'-P energy: -4.181 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.494 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: 5, replica: 10 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -20.305493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.305493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.305493 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.305387 where: bonds (distance) C4'-P energy: -3.027 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -4.132 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: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -20.666622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.666622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.666622 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -20.595113 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -19.558393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.558393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.558393 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -19.465860 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -20.253844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.253844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.253844 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -20.156527 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -18.638561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.638561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.638561 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -18.606764 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: 1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -18.413076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.413076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.413076 (E_RNA) where: Base-Base interactions energy: -1.251 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -17.150145 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.456 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -22.754293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.754293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.754293 (E_RNA) where: Base-Base interactions energy: -0.913 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.840914 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -3.677 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: 2, replica: 9 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -20.674719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.674719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.674719 (E_RNA) where: Base-Base interactions energy: -0.542 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.198 local terms energy: -19.934577 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.364 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: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -21.683201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.683201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.683201 (E_RNA) where: Base-Base interactions energy: -4.205 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -17.371482 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -3.876 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: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -21.197620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.197620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.197620 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.197616 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -19.476710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.476710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.476710 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.575963 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -2.781 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: 6, replica: 10 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -18.812312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.812312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.812312 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -18.744333 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: 0.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -22.299238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.299238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.299238 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.086 local terms energy: -22.313106 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -19.393499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.393499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.393499 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -19.365102 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.162 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: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -20.570026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.570026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.570026 (E_RNA) where: Base-Base interactions energy: -4.420 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.014 local terms energy: -17.164451 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -2.488 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: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -18.794348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.794348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.794348 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -18.783361 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.249 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -0.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -24.212035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.212035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.212035 (E_RNA) where: Base-Base interactions energy: -5.588 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.191 local terms energy: -18.432920 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -3.796 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: 2, replica: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -24.299758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.299758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.299758 (E_RNA) where: Base-Base interactions energy: -3.020 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -21.254258 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.274 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: 9 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -21.465075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.465075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.465075 (E_RNA) where: Base-Base interactions energy: -3.254 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -18.147265 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: 1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -20.723127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.723127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.723127 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.623172 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -21.540285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.540285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.540285 (E_RNA) where: Base-Base interactions energy: -6.673 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.555 local terms energy: -14.312114 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: 3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -19.824838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.824838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.824838 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -19.730429 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -3.699 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: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -18.640368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.640368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.640368 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.633638 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -4.224 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: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -19.398763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.398763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.398763 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.398391 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -19.985548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.985548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.985548 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.985547 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.327 flat angles P-C4'-P energy: -1.933 tors. eta vs tors. theta energy: -1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -20.126004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.126004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.126004 (E_RNA) where: Base-Base interactions energy: 0.700 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.096 local terms energy: -20.729748 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.416 flat angles P-C4'-P energy: -4.055 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: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -25.262482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.262482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.262482 (E_RNA) where: Base-Base interactions energy: -9.930 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -15.213587 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -2.116 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: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -22.040715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.040715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.040715 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -21.942917 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.626 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: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -23.512350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.512350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.512350 (E_RNA) where: Base-Base interactions energy: -4.106 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.405027 where: bonds (distance) C4'-P energy: -2.825 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.372 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: 4, replica: 9 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -19.754196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.754196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.754196 (E_RNA) where: Base-Base interactions energy: 0.119 where: short stacking energy: 0.119 Base-Backbone interact. energy: -0.001 local terms energy: -19.872346 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -4.025 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: 5, replica: 6 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -19.668091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.668091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.668091 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.661513 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -0.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -21.928397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.928397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.928397 (E_RNA) where: Base-Base interactions energy: -5.535 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -16.287359 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: 2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -20.860504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.860504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.860504 (E_RNA) where: Base-Base interactions energy: -4.959 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -15.900030 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -0.998 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: 0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -19.997413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.997413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.997413 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.995153 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: 0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -20.316352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.316352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.316352 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.314520 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -2.581 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: 10, replica: 3 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -19.866821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.866821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.866821 (E_RNA) where: Base-Base interactions energy: 0.163 where: short stacking energy: 0.163 Base-Backbone interact. energy: -0.002 local terms energy: -20.027858 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -0.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -21.765340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.765340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.765340 (E_RNA) where: Base-Base interactions energy: -1.667 where: short stacking energy: 0.158 Base-Backbone interact. energy: -0.015 local terms energy: -20.082495 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -0.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -20.447274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.447274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.447274 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.446012 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -21.458682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.458682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.458682 (E_RNA) where: Base-Base interactions energy: -2.688 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.671539 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: 1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -20.232293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.232293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.232293 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.231655 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -20.461309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.461309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.461309 (E_RNA) where: Base-Base interactions energy: -3.526 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -16.929584 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -0.678 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: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -21.021605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.021605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.021605 (E_RNA) where: Base-Base interactions energy: -4.510 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.180 local terms energy: -16.331660 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -1.549 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: 7, replica: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -18.297495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.297495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.297495 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -18.261282 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -2.958 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: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -19.653605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.653605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.653605 (E_RNA) where: Base-Base interactions energy: -0.267 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -19.322728 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -1.323 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -20.629853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.629853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.629853 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.629818 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -17.656325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.656325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.656325 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -17.557158 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.973 flat angles P-C4'-P energy: -3.571 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: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -20.440008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.440008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.440008 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.439951 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -21.492802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.492802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.492802 (E_RNA) where: Base-Base interactions energy: 0.316 where: short stacking energy: 0.316 Base-Backbone interact. energy: -0.134 local terms energy: -21.674802 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -4.265 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: 3, replica: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -20.684423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.684423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.684423 (E_RNA) where: Base-Base interactions energy: -5.695 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -14.923245 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -2.389 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: 0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -20.727069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727069 (E_RNA) where: Base-Base interactions energy: -2.043 where: short stacking energy: 0.095 Base-Backbone interact. energy: -0.006 local terms energy: -18.678711 where: bonds (distance) C4'-P energy: -2.584 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -3.528 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: 5, replica: 9 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -20.117188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.117188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.117188 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.498 local terms energy: -19.619361 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -4.540 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: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -20.183811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.183811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.183811 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -20.100457 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.414 flat angles P-C4'-P energy: -3.385 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: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -20.481620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.481620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.481620 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.481610 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -20.098011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.098011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.098011 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.094043 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -20.882049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.882049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.882049 (E_RNA) where: Base-Base interactions energy: -4.807 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -15.998006 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -3.356 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: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -18.460865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.460865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.460865 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.460065 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -4.029 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: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -21.176927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.176927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.176927 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.176926 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: -4.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -23.063212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.063212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.063212 (E_RNA) where: Base-Base interactions energy: -4.805 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -18.144471 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: 1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -22.300605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.300605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.300605 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.720 local terms energy: -21.580241 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -21.695631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.695631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.695631 (E_RNA) where: Base-Base interactions energy: -5.745 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -15.918468 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.178 flat angles P-C4'-P energy: -4.052 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: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -20.276093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.276093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.276093 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.262646 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -4.266 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: 6, replica: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -21.611809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.611809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.611809 (E_RNA) where: Base-Base interactions energy: -5.065 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.192 local terms energy: -16.354936 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -3.592 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: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -22.160299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.160299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.160299 (E_RNA) where: Base-Base interactions energy: -0.355 where: short stacking energy: 0.714 Base-Backbone interact. energy: -0.000 local terms energy: -21.805525 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.671 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: 8, replica: 4 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -22.561417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.561417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.561417 (E_RNA) where: Base-Base interactions energy: -5.602 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.565 local terms energy: -16.394433 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -2.895 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: 9, replica: 3 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -20.227333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.227333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.227333 (E_RNA) where: Base-Base interactions energy: 1.079 where: short stacking energy: 1.079 Base-Backbone interact. energy: -0.000 local terms energy: -21.306693 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -4.238 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: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -20.359758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.359758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.359758 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.313 local terms energy: -19.047001 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: -3.043 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: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -19.885878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.885878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.885878 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.878243 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -4.779 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: 2, replica: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -22.511122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.511122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.511122 (E_RNA) where: Base-Base interactions energy: -4.073 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -18.393123 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: 1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -21.783450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.783450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.783450 (E_RNA) where: Base-Base interactions energy: -2.619 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -19.055444 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: 0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -21.145270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.145270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.145270 (E_RNA) where: Base-Base interactions energy: -5.753 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.296 local terms energy: -15.095673 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.159 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: 5, replica: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -22.667927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.667927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.667927 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -22.655612 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -20.057201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.057201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.057201 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.714 local terms energy: -18.342867 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: 1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -21.053789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.053789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.053789 (E_RNA) where: Base-Base interactions energy: 0.228 where: short stacking energy: 0.228 Base-Backbone interact. energy: -0.065 local terms energy: -21.217526 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -3.937 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: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -20.425653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.425653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.425653 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -20.364100 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: 0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -20.475537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.475537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.475537 (E_RNA) where: Base-Base interactions energy: -1.270 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -19.122846 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -18.806122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.806122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.806122 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -18.644757 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -4.241 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: 25 Temperature: 0.900000 Total energy: -21.447090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.447090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.447090 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.446126 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -4.009 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: 2, replica: 9 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -22.984443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.984443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.984443 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.984442 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -20.721037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.721037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.721037 (E_RNA) where: Base-Base interactions energy: 0.860 where: short stacking energy: 0.860 Base-Backbone interact. energy: -0.069 local terms energy: -21.512766 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -2.620 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: 4, replica: 7 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -20.335387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.335387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.335387 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.315139 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: 0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -20.864681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.864681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.864681 (E_RNA) where: Base-Base interactions energy: -3.054 where: short stacking energy: 0.061 Base-Backbone interact. energy: -0.023 local terms energy: -17.787427 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: 1.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -19.231743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.231743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.231743 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -19.151453 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -3.134 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: 5 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -19.594233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.594233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.594233 (E_RNA) where: Base-Base interactions energy: 0.072 where: short stacking energy: 0.072 Base-Backbone interact. energy: -0.008 local terms energy: -19.658725 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: 0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -20.017457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.017457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.017457 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.921 local terms energy: -19.096913 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -20.575360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.575360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.575360 (E_RNA) where: Base-Base interactions energy: -4.711 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -15.765037 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: 2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -20.539615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.539615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.539615 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.257 local terms energy: -20.282587 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -3.777 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: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -23.166107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.166107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.166107 (E_RNA) where: Base-Base interactions energy: -6.226 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -16.926870 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -2.460 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: 26 Temperature: 0.950000 Total energy: -21.004368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.004368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.004368 (E_RNA) where: Base-Base interactions energy: -4.547 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -16.314942 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: 2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -22.844872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.844872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.844872 (E_RNA) where: Base-Base interactions energy: -3.419 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.480 local terms energy: -18.945871 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: 1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -22.129239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.129239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.129239 (E_RNA) where: Base-Base interactions energy: 0.055 where: short stacking energy: 0.055 Base-Backbone interact. energy: -0.001 local terms energy: -22.183727 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -19.501871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.501871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.501871 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.501870 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -4.139 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: 6, replica: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -19.722062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.722062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.722062 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.714352 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -4.231 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: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -21.823183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.823183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.823183 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.923065 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -2.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -19.833770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.833770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.833770 (E_RNA) where: Base-Base interactions energy: -2.777 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.239 local terms energy: -16.817836 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -3.081 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: 9, replica: 3 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -19.286942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.286942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.286942 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.286941 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -19.086678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.086678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.086678 (E_RNA) where: Base-Base interactions energy: -5.371 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -13.578927 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -2.805 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: 2.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -21.260177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.260177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.260177 (E_RNA) where: Base-Base interactions energy: -2.178 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.533 local terms energy: -18.549261 where: bonds (distance) C4'-P energy: -4.601 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.797 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: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -20.640126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.640126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.640126 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.640070 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -20.802062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.802062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.802062 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -20.734821 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -19.412914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.412914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.412914 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -19.380842 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -3.007 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: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -20.191101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.191101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.191101 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -20.146151 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -20.041297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.041297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.041297 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.941542 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -19.633794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.633794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.633794 (E_RNA) where: Base-Base interactions energy: 0.057 where: short stacking energy: 0.057 Base-Backbone interact. energy: -0.001 local terms energy: -19.689365 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -3.690 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: 8, replica: 3 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -20.203862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.203862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.203862 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.176 local terms energy: -20.028066 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -3.818 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: 9, replica: 5 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -18.780145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.780145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.780145 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -18.634500 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -21.689112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.689112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.689112 (E_RNA) where: Base-Base interactions energy: -5.577 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -16.088988 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -2.487 flat angles P-C4'-P energy: -3.573 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: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -21.791403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.791403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.791403 (E_RNA) where: Base-Base interactions energy: -2.457 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.130 local terms energy: -19.203649 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -2.019 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -22.397811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.397811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.397811 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.397803 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -4.809 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: 28 Temperature: 1.000000 Total energy: -24.056536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.056536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.056536 (E_RNA) where: Base-Base interactions energy: -5.288 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -18.674279 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: 0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -20.009644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.009644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.009644 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.007892 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: 0.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -19.592804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.592804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.592804 (E_RNA) where: Base-Base interactions energy: -3.270 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -16.321674 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -2.759 flat angles P-C4'-P energy: -3.069 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: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -22.237862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.237862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.237862 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.237859 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.980 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: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -22.162096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.162096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.162096 (E_RNA) where: Base-Base interactions energy: 0.089 where: short stacking energy: 0.077 Base-Backbone interact. energy: -0.046 local terms energy: -22.205236 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -4.033 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: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -18.497367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.497367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.497367 (E_RNA) where: Base-Base interactions energy: 0.096 where: short stacking energy: 0.096 Base-Backbone interact. energy: -0.019 local terms energy: -18.574802 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -19.880011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.880011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.880011 (E_RNA) where: Base-Base interactions energy: -4.123 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.162 local terms energy: -15.594298 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.884 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: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -18.903120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.903120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.903120 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -19.003118 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -1.072 tors. eta vs tors. theta energy: -0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -21.108696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.108696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.108696 (E_RNA) where: Base-Base interactions energy: -2.441 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.667035 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -0.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -21.493585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.493585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.493585 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.493585 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -21.316691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.316691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.316691 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -21.307693 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -20.092071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.092071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.092071 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.082859 where: bonds (distance) C4'-P energy: -4.927 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: 0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -20.476562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.476562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.476562 (E_RNA) where: Base-Base interactions energy: -5.737 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -14.673179 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -0.939 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: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -20.696719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.696719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.696719 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.696616 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -25.890141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.890141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.890141 (E_RNA) where: Base-Base interactions energy: -4.678 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.009 local terms energy: -21.203674 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -0.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -19.788224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.788224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.788224 (E_RNA) where: Base-Base interactions energy: -2.416 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.988 local terms energy: -16.384147 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -2.773 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: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -18.516560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.516560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.516560 (E_RNA) where: Base-Base interactions energy: 0.178 where: short stacking energy: 0.178 Base-Backbone interact. energy: -0.236 local terms energy: -18.458729 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.507 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: 10, replica: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -20.221783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.221783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.221783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.122890 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -4.571 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: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -26.627311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.627311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.627311 (E_RNA) where: Base-Base interactions energy: -6.084 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.529282 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -22.115609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.115609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.115609 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.115289 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -2.841 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: 3, replica: 10 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -24.459591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.459591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.459591 (E_RNA) where: Base-Base interactions energy: -3.525 where: short stacking energy: 0.110 Base-Backbone interact. energy: -0.002 local terms energy: -20.931783 where: bonds (distance) C4'-P energy: -3.209 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -23.543565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.543565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.543565 (E_RNA) where: Base-Base interactions energy: -5.552 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.214 local terms energy: -17.777175 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -3.920 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: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -20.799234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.799234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.799234 (E_RNA) where: Base-Base interactions energy: 0.529 where: short stacking energy: 0.529 Base-Backbone interact. energy: -0.000 local terms energy: -21.327911 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.038 flat angles P-C4'-P energy: -4.066 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: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -21.622521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.622521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.622521 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -21.562853 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -4.101 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: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -20.011345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.011345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.011345 (E_RNA) where: Base-Base interactions energy: -2.704 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.306810 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -3.718 flat angles P-C4'-P energy: -1.756 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: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -20.057119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.057119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.057119 (E_RNA) where: Base-Base interactions energy: -4.748 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -15.263588 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.004 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: 1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -20.264379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.264379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.264379 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.250847 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.529 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: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -18.927481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.927481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.927481 (E_RNA) where: Base-Base interactions energy: -0.992 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -17.930672 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.955 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: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -21.665967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.665967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.665967 (E_RNA) where: Base-Base interactions energy: -4.899 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -16.754795 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -3.544 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: 2, replica: 10 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -21.522060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.522060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.522060 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.522009 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -4.103 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: 3, replica: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -22.382272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.382272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.382272 (E_RNA) where: Base-Base interactions energy: -4.889 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -17.470135 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: 1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -22.468714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.468714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.468714 (E_RNA) where: Base-Base interactions energy: -4.793 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.363 local terms energy: -17.313543 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -20.297401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.297401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.297401 (E_RNA) where: Base-Base interactions energy: 0.998 where: short stacking energy: 0.998 Base-Backbone interact. energy: -0.000 local terms energy: -21.295428 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -2.677 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: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -19.532038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.532038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.532038 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.531533 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -19.733793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.733793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.733793 (E_RNA) where: Base-Base interactions energy: 0.137 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.857214 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -3.526 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: 5 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -19.578140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.578140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.578140 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -19.556334 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.816 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -21.304515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.304515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.304515 (E_RNA) where: Base-Base interactions energy: -5.254 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -15.956784 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: 2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -18.838295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.838295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.838295 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -18.776027 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -21.510326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.510326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.510326 (E_RNA) where: Base-Base interactions energy: 0.201 where: short stacking energy: 0.201 Base-Backbone interact. energy: -0.003 local terms energy: -21.708239 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -23.662353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.662353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.662353 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -23.661593 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -4.549 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: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -23.081420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.081420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.081420 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.081240 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -4.219 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: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -19.134841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.134841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.134841 (E_RNA) where: Base-Base interactions energy: -0.230 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.904412 where: bonds (distance) C4'-P energy: -3.080 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -19.511180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.511180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.511180 (E_RNA) where: Base-Base interactions energy: 0.094 where: short stacking energy: 0.308 Base-Backbone interact. energy: -1.147 local terms energy: -18.458345 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.472 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: 6, replica: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -20.726551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.726551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.726551 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -20.577236 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: 0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -21.152133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.152133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.152133 (E_RNA) where: Base-Base interactions energy: -5.093 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -15.945450 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.051 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: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -18.682205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.682205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.682205 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -18.601788 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -2.293 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -18.655600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.655600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.655600 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.653598 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -2.639 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -19.971464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.971464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.971464 (E_RNA) where: Base-Base interactions energy: -3.149 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -16.816775 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -4.569 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: 1, replica: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -21.301315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.301315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.301315 (E_RNA) where: Base-Base interactions energy: -1.998 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.130 local terms energy: -19.173369 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.734 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -23.135290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.135290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.135290 (E_RNA) where: Base-Base interactions energy: -4.928 where: short stacking energy: 0.095 Base-Backbone interact. energy: -0.022 local terms energy: -18.185344 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: 1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -22.255302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.255302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.255302 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -22.161022 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.116 flat angles P-C4'-P energy: -4.147 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: 4, replica: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -24.172675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.172675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.172675 (E_RNA) where: Base-Base interactions energy: -4.195 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -19.904648 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -20.381522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.381522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.381522 (E_RNA) where: Base-Base interactions energy: -4.508 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -15.857230 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.848 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: 1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -19.297769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.297769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.297769 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.294126 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -19.292863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.292863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.292863 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -19.195300 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -4.580 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: 8, replica: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -18.678808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.678808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.678808 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.544 local terms energy: -18.134345 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.574 flat angles C4'-P-C4' energy: -3.490 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -20.005061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.005061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.005061 (E_RNA) where: Base-Base interactions energy: -0.117 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.872680 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: 0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -18.906917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.906917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.906917 (E_RNA) where: Base-Base interactions energy: -1.582 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -17.219169 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.025 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -21.578262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.578262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.578262 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -21.503136 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -21.573143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.573143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.573143 (E_RNA) where: Base-Base interactions energy: 0.293 where: short stacking energy: 0.293 Base-Backbone interact. energy: -0.000 local terms energy: -21.865669 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -19.877479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.877479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.877479 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.862658 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -19.936653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.936653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.936653 (E_RNA) where: Base-Base interactions energy: -1.048 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.888904 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.117 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -20.900561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.900561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.900561 (E_RNA) where: Base-Base interactions energy: -6.008 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -14.750130 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -3.931 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: 1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -19.908192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.908192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.908192 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.908101 where: bonds (distance) C4'-P energy: -2.871 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.621 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: 7, replica: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -20.751209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.751209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.751209 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -20.685242 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -4.088 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: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -20.955910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.955910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.955910 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -20.915415 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -4.068 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: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -20.052965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.052965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.052965 (E_RNA) where: Base-Base interactions energy: 0.226 where: short stacking energy: 1.150 Base-Backbone interact. energy: -0.094 local terms energy: -20.184914 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -18.096545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.096545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.096545 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.096420 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: 1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -25.109287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.109287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.109287 (E_RNA) where: Base-Base interactions energy: -9.160 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -15.796373 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: 2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -21.067256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.067256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.067256 (E_RNA) where: Base-Base interactions energy: 0.451 where: short stacking energy: 0.451 Base-Backbone interact. energy: -0.032 local terms energy: -21.485729 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -21.348138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.348138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.348138 (E_RNA) where: Base-Base interactions energy: 0.439 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.000 local terms energy: -21.787434 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -4.732 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: 4, replica: 5 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -21.693546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.693546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.693546 (E_RNA) where: Base-Base interactions energy: -3.893 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -17.707126 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.897 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -22.162644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.162644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.162644 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.162643 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -21.658710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.658710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.658710 (E_RNA) where: Base-Base interactions energy: -2.846 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -18.690507 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: 1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -18.904846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.904846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.904846 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.904692 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -1.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -19.247963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.247963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.247963 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.242851 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -2.651 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -19.448799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.448799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.448799 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.445483 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -19.352400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.352400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.352400 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -19.307686 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -3.714 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: 1, replica: 8 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -22.575031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.575031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.575031 (E_RNA) where: Base-Base interactions energy: -7.053 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -15.481620 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: -3.939 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: 2, replica: 10 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -23.345220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.345220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.345220 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.345204 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -4.257 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: 3, replica: 5 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -20.490155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.490155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.490155 (E_RNA) where: Base-Base interactions energy: 0.110 where: short stacking energy: 0.110 Base-Backbone interact. energy: -0.002 local terms energy: -20.598142 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.706 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: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -21.764505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.764505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.764505 (E_RNA) where: Base-Base interactions energy: -5.728 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -15.937145 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: 2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -21.758143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.758143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.758143 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.758082 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -3.807 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: 6, replica: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -22.672457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.672457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.672457 (E_RNA) where: Base-Base interactions energy: -1.515 where: short stacking energy: 0.087 Base-Backbone interact. energy: -0.413 local terms energy: -20.743876 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -19.319378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.319378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.319378 (E_RNA) where: Base-Base interactions energy: -2.255 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.063263 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.626 flat angles P-C4'-P energy: -1.758 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -20.477822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.477822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.477822 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -20.393934 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -19.720537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.720537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.720537 (E_RNA) where: Base-Base interactions energy: -3.717 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -16.000891 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: 1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -19.843135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.843135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.843135 (E_RNA) where: Base-Base interactions energy: -1.868 where: short stacking energy: 0.573 Base-Backbone interact. energy: -0.024 local terms energy: -17.951025 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.129 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: 8 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -22.458254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.458254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.458254 (E_RNA) where: Base-Base interactions energy: -4.981 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -17.439683 where: bonds (distance) C4'-P energy: -2.890 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -3.978 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: 2, replica: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -19.748596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.748596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.748596 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.733523 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -21.727077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.727077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.727077 (E_RNA) where: Base-Base interactions energy: -4.259 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.147 local terms energy: -17.320832 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: 2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -21.020009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.020009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.020009 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -20.973030 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.752 flat angles P-C4'-P energy: -3.657 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: 5, replica: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -22.447567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.447567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.447567 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.447566 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -21.528952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.528952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.528952 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.528924 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -20.003824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.003824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.003824 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.003796 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -3.924 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: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -20.284250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.284250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.284250 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.284158 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -19.155098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.155098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.155098 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.155084 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -0.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -18.338330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.338330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.338330 (E_RNA) where: Base-Base interactions energy: 0.109 where: short stacking energy: 0.109 Base-Backbone interact. energy: -0.000 local terms energy: -18.446815 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.136 flat angles P-C4'-P energy: -2.159 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -23.412925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.412925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.412925 (E_RNA) where: Base-Base interactions energy: -4.259 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -19.058478 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -22.033044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.033044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.033044 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.033001 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -21.984439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.984439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.984439 (E_RNA) where: Base-Base interactions energy: -5.198 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -16.730106 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: 0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -23.320146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.320146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.320146 (E_RNA) where: Base-Base interactions energy: -6.033 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -17.206729 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.264 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: 5, replica: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -20.930849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.930849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.930849 (E_RNA) where: Base-Base interactions energy: -1.857 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.067243 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -3.444 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: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -20.917514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.917514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.917514 (E_RNA) where: Base-Base interactions energy: 0.124 where: short stacking energy: 0.124 Base-Backbone interact. energy: -0.102 local terms energy: -20.939390 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -20.214071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.214071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.214071 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.505 local terms energy: -19.708858 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -19.710465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.710465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.710465 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.710324 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -2.423 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: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -19.450915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.450915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.450915 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.450527 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -19.531690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.531690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.531690 (E_RNA) where: Base-Base interactions energy: -4.272 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.221 local terms energy: -15.038159 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -3.521 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: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -23.960589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.960589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.960589 (E_RNA) where: Base-Base interactions energy: -3.947 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.060 local terms energy: -19.953640 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -4.281 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: 2, replica: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -22.730468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.730468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.730468 (E_RNA) where: Base-Base interactions energy: -1.110 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.918 local terms energy: -19.703149 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -2.186 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: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -20.867594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.867594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.867594 (E_RNA) where: Base-Base interactions energy: -1.483 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -19.319821 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: 0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -22.961309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.961309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.961309 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.961308 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -20.491768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.491768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.491768 (E_RNA) where: Base-Base interactions energy: -5.507 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -14.823024 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.163 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: 2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -21.211485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.211485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.211485 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -21.130907 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -20.817772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.817772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.817772 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -20.787965 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -4.626 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: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -22.478798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.478798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.478798 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -22.469894 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -2.606 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -20.857747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.857747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.857747 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.836369 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -19.272778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.272778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.272778 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.009 local terms energy: -19.463476 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: 0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -21.495489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.495489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.495489 (E_RNA) where: Base-Base interactions energy: -4.677 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.031 local terms energy: -16.787722 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.439 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.866 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: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -21.117899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.117899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.117899 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.117875 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -21.620304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.620304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.620304 (E_RNA) where: Base-Base interactions energy: -2.634 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.128 local terms energy: -18.858255 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: 0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -21.051267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.051267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.051267 (E_RNA) where: Base-Base interactions energy: 0.262 where: short stacking energy: 0.262 Base-Backbone interact. energy: -0.017 local terms energy: -21.295980 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -21.780820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.780820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.780820 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.780813 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.371 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: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -20.440602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.440602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.440602 (E_RNA) where: Base-Base interactions energy: -1.561 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.191 local terms energy: -18.689271 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: 0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -19.101896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.101896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.101896 (E_RNA) where: Base-Base interactions energy: -3.057 where: short stacking energy: 0.374 Base-Backbone interact. energy: -0.031 local terms energy: -16.014073 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: 2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -20.082848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.082848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.082848 (E_RNA) where: Base-Base interactions energy: -0.289 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -19.643182 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -18.249733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.249733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.249733 (E_RNA) where: Base-Base interactions energy: -5.325 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -12.887936 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -2.578 tors. eta vs tors. theta energy: 1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -19.959221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.959221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.959221 (E_RNA) where: Base-Base interactions energy: 0.004 where: short stacking energy: 0.004 Base-Backbone interact. energy: -0.011 local terms energy: -19.951851 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -0.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -21.542593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.542593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.542593 (E_RNA) where: Base-Base interactions energy: -5.783 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -15.666049 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -1.859 flat angles P-C4'-P energy: -2.054 tors. eta vs tors. theta energy: -0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -21.630668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.630668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.630668 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.730230 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -20.806841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.806841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.806841 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.481 local terms energy: -20.326112 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: 0.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -19.715561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.715561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.715561 (E_RNA) where: Base-Base interactions energy: 0.037 where: short stacking energy: 0.037 Base-Backbone interact. energy: -0.000 local terms energy: -19.752914 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -22.141596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.141596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.141596 (E_RNA) where: Base-Base interactions energy: -1.693 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -20.394800 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.435 flat angles P-C4'-P energy: -4.294 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: 6, replica: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -19.448319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.448319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.448319 (E_RNA) where: Base-Base interactions energy: -0.050 where: short stacking energy: 0.089 Base-Backbone interact. energy: -0.016 local terms energy: -19.382555 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: 1.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -19.382990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.382990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.382990 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.377220 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -18.802771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.802771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.802771 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.057 local terms energy: -19.144964 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: 0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -20.464762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.464762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.464762 (E_RNA) where: Base-Base interactions energy: -4.542 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.618 local terms energy: -16.540912 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -4.826 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: 10, replica: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -20.459024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.459024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.459024 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.458933 where: bonds (distance) C4'-P energy: -3.606 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -4.834 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: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -24.043405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.043405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.043405 (E_RNA) where: Base-Base interactions energy: -4.097 where: short stacking energy: 0.123 Base-Backbone interact. energy: -0.017 local terms energy: -19.929484 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -22.181739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.181739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.181739 (E_RNA) where: Base-Base interactions energy: -5.238 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -16.933675 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -3.206 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: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -20.595516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.595516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.595516 (E_RNA) where: Base-Base interactions energy: -0.633 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.195 local terms energy: -19.767944 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.179 tors. eta vs tors. theta energy: -0.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -19.582523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.582523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.582523 (E_RNA) where: Base-Base interactions energy: -3.461 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -16.042708 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.075 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: 5, replica: 9 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -19.959417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.959417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.959417 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -19.922295 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: 0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -24.057663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.057663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.057663 (E_RNA) where: Base-Base interactions energy: -5.274 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -18.747082 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -18.766027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.766027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.766027 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -18.752883 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: -1.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -19.504828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.504828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.504828 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.404824 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.748 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -22.450760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.450760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.450760 (E_RNA) where: Base-Base interactions energy: -4.091 where: short stacking energy: 0.364 Base-Backbone interact. energy: -0.001 local terms energy: -18.358520 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.192 flat angles P-C4'-P energy: -1.118 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: 10, replica: 3 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -17.812315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.812315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.812315 (E_RNA) where: Base-Base interactions energy: -4.605 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -13.070762 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -3.838 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: 3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -21.809401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.809401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.809401 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.807126 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -3.892 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: 2, replica: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -21.378272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.378272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.378272 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -21.321460 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -1.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -20.193282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.193282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.193282 (E_RNA) where: Base-Base interactions energy: 0.435 where: short stacking energy: 0.435 Base-Backbone interact. energy: -0.010 local terms energy: -20.618812 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -20.942729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.942729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.942729 (E_RNA) where: Base-Base interactions energy: -0.763 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.179405 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.493 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: 5, replica: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -19.802895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.802895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.802895 (E_RNA) where: Base-Base interactions energy: -2.658 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.181 local terms energy: -16.963977 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: 1.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -18.416471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.416471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.416471 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -18.391318 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -19.360060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.360060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.360060 (E_RNA) where: Base-Base interactions energy: 0.402 where: short stacking energy: 0.402 Base-Backbone interact. energy: -0.191 local terms energy: -19.570376 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.961 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: 4 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -18.855707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.855707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.855707 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -18.798168 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: 0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -19.992454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.992454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.992454 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.980822 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -3.418 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: 3 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -19.080244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.080244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.080244 (E_RNA) where: Base-Base interactions energy: 1.000 where: short stacking energy: 1.000 Base-Backbone interact. energy: -1.194 local terms energy: -18.886562 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: 0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -21.591456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.591456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.591456 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.467 local terms energy: -21.124058 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -3.591 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: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -22.694365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.694365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.694365 (E_RNA) where: Base-Base interactions energy: -2.498 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -20.140089 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.863 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: 3, replica: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -19.551015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.551015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.551015 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.503369 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -3.741 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: 4, replica: 10 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -20.805129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.805129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.805129 (E_RNA) where: Base-Base interactions energy: 0.113 where: short stacking energy: 0.113 Base-Backbone interact. energy: -0.037 local terms energy: -20.881472 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -21.282238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.282238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.282238 (E_RNA) where: Base-Base interactions energy: -5.218 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -15.964813 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: 0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -20.360473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.360473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.360473 (E_RNA) where: Base-Base interactions energy: -4.379 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.446 local terms energy: -15.535842 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: 2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -22.987845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.987845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.987845 (E_RNA) where: Base-Base interactions energy: -4.987 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -17.987635 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: 1.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -19.814208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.814208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.814208 (E_RNA) where: Base-Base interactions energy: -0.735 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.006 local terms energy: -19.073387 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -4.590 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: 3 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -18.799157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.799157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.799157 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.798913 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -21.151560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.151560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.151560 (E_RNA) where: Base-Base interactions energy: -4.132 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -16.962772 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.825 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: 1, replica: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -21.664050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.664050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.664050 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -21.665686 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -3.431 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: 2, replica: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -21.690939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.690939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.690939 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.481 local terms energy: -20.209573 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -21.776663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.776663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.776663 (E_RNA) where: Base-Base interactions energy: -5.042 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -16.677743 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -3.895 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: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -20.127491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.127491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.127491 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.155 local terms energy: -19.972212 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -19.236391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.236391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.236391 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.229326 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -3.149 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: 6, replica: 4 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -20.105697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.105697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.105697 (E_RNA) where: Base-Base interactions energy: -5.488 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -14.558683 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -1.907 tors. eta vs tors. theta energy: 2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -20.093084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.093084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.093084 (E_RNA) where: Base-Base interactions energy: -4.051 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -15.977349 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.442 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: 2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -19.036816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.036816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.036816 (E_RNA) where: Base-Base interactions energy: -1.071 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -17.954731 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.309 flat angles P-C4'-P energy: -4.400 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: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -19.135317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.135317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.135317 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.135301 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -3.274 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: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -19.763642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.763642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.763642 (E_RNA) where: Base-Base interactions energy: -1.481 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -18.256488 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.557 flat angles P-C4'-P energy: -3.353 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: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -21.566418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.566418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.566418 (E_RNA) where: Base-Base interactions energy: -1.626 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.850885 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.466 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: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -19.472493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.472493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.472493 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -19.454812 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -3.233 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: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -21.091035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.091035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.091035 (E_RNA) where: Base-Base interactions energy: -1.440 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -19.635109 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.805 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: 4, replica: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -20.311402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.311402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.311402 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.311054 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: 0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -21.221922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.221922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.221922 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -21.125833 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -20.936491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.936491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.936491 (E_RNA) where: Base-Base interactions energy: -4.199 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -16.720971 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -3.331 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: 7, replica: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -20.404742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.404742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.404742 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.007 local terms energy: -20.498140 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: 0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -19.294944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.294944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.294944 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.281709 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -19.316044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.316044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.316044 (E_RNA) where: Base-Base interactions energy: 0.043 where: short stacking energy: 0.043 Base-Backbone interact. energy: -0.001 local terms energy: -19.357476 where: bonds (distance) C4'-P energy: -3.135 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -4.218 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: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -20.475500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.475500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.475500 (E_RNA) where: Base-Base interactions energy: -4.271 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -16.197619 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -0.193 tors. eta vs tors. theta energy: -2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -22.828914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.828914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.828914 (E_RNA) where: Base-Base interactions energy: -4.600 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -18.139594 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.025 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: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -21.085165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.085165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.085165 (E_RNA) where: Base-Base interactions energy: -1.023 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.043 local terms energy: -20.018887 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -1.633 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: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -21.652207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.652207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.652207 (E_RNA) where: Base-Base interactions energy: -2.733 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -18.878715 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -21.287041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.287041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.287041 (E_RNA) where: Base-Base interactions energy: -1.499 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -19.759201 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -2.592 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: 5, replica: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -20.721908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.721908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.721908 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.030 local terms energy: -20.792193 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.063 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: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -18.927307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.927307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.927307 (E_RNA) where: Base-Base interactions energy: -2.177 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -16.645455 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -2.168 flat angles P-C4'-P energy: -3.849 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: 47 Temperature: 1.200000 Total energy: -20.683788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.683788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.683788 (E_RNA) where: Base-Base interactions energy: -1.598 where: short stacking energy: 0.302 Base-Backbone interact. energy: -0.000 local terms energy: -19.085276 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.249 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -23.079101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.079101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.079101 (E_RNA) where: Base-Base interactions energy: -6.073 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -16.921024 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: 1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -19.641675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.641675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.641675 (E_RNA) where: Base-Base interactions energy: -1.515 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -18.043789 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: 1.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -18.794420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.794420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.794420 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.793710 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -2.876 flat angles P-C4'-P energy: -2.008 tors. eta vs tors. theta energy: -3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -23.011147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.011147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.011147 (E_RNA) where: Base-Base interactions energy: 0.530 where: short stacking energy: 0.330 Base-Backbone interact. energy: -0.030 local terms energy: -23.511322 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -21.311942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.311942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.311942 (E_RNA) where: Base-Base interactions energy: 0.036 where: short stacking energy: 0.036 Base-Backbone interact. energy: -0.012 local terms energy: -21.335349 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -4.237 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: 3, replica: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -21.582985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.582985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.582985 (E_RNA) where: Base-Base interactions energy: -1.108 where: short stacking energy: 0.326 Base-Backbone interact. energy: -0.002 local terms energy: -20.473235 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -2.388 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: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -21.883677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.883677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.883677 (E_RNA) where: Base-Base interactions energy: -4.838 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -17.019168 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.278 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: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -20.893483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.893483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.893483 (E_RNA) where: Base-Base interactions energy: -1.530 where: short stacking energy: 0.300 Base-Backbone interact. energy: 0.020 local terms energy: -19.383554 where: bonds (distance) C4'-P energy: -4.277 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -0.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -19.733245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.733245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.733245 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -19.641647 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -21.711418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.711418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.711418 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.707990 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -19.313475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.313475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.313475 (E_RNA) where: Base-Base interactions energy: 0.132 where: short stacking energy: 0.132 Base-Backbone interact. energy: -0.002 local terms energy: -19.443719 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: 0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -21.864657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.864657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.864657 (E_RNA) where: Base-Base interactions energy: -2.810 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.053867 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -2.960 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -19.157260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.157260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.157260 (E_RNA) where: Base-Base interactions energy: 0.089 where: short stacking energy: 0.562 Base-Backbone interact. energy: -0.038 local terms energy: -19.207466 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -21.748388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.748388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.748388 (E_RNA) where: Base-Base interactions energy: -2.472 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.854 local terms energy: -18.422527 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -3.141 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: 2, replica: 4 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -21.200762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.200762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.200762 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.180 local terms energy: -21.021251 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -21.432261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.432261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.432261 (E_RNA) where: Base-Base interactions energy: 0.382 where: short stacking energy: 0.382 Base-Backbone interact. energy: -0.000 local terms energy: -21.813975 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -20.773549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.773549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.773549 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.768465 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -20.533423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.533423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.533423 (E_RNA) where: Base-Base interactions energy: -4.004 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -16.393432 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: 1.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -20.506452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.506452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.506452 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.506439 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -2.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -20.187136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.187136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.187136 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -20.119022 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -4.336 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: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -19.961737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.961737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.961737 (E_RNA) where: Base-Base interactions energy: -1.597 where: short stacking energy: 0.181 Base-Backbone interact. energy: -0.000 local terms energy: -18.365046 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -1.342 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -21.668485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.668485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.668485 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.668482 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -3.923 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: 10, replica: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -17.469663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.469663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.469663 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -17.441830 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.478 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: 0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -22.738095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.738095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.738095 (E_RNA) where: Base-Base interactions energy: -4.163 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -18.498000 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -22.453607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.453607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.453607 (E_RNA) where: Base-Base interactions energy: -3.568 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -18.872084 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -3.328 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: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -19.949046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.949046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.949046 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -19.850740 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -4.024 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: 4, replica: 9 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -19.070566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.070566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.070566 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.070242 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: 0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -20.288156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.288156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.288156 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.288155 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -2.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -20.365720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.365720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.365720 (E_RNA) where: Base-Base interactions energy: -0.686 where: short stacking energy: 0.329 Base-Backbone interact. energy: -0.254 local terms energy: -19.425792 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -4.560 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: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -20.469801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.469801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.469801 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.469636 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.989 flat angles P-C4'-P energy: -4.457 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: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -20.390195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.390195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.390195 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -20.351481 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -4.568 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: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -20.244671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.244671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.244671 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.240933 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -20.147124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.147124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.147124 (E_RNA) where: Base-Base interactions energy: -1.059 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.087445 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -23.727880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.727880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.727880 (E_RNA) where: Base-Base interactions energy: -2.787 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.940909 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -3.027 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: 51 Temperature: 0.950000 Total energy: -20.303173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.303173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.303173 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.302897 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -20.328388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.328388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.328388 (E_RNA) where: Base-Base interactions energy: -1.429 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -18.825898 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.364 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -20.055367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.055367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.055367 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -19.982264 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -20.155915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.155915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.155915 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -20.089066 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -20.727778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727778 (E_RNA) where: Base-Base interactions energy: 0.211 where: short stacking energy: 0.211 Base-Backbone interact. energy: -0.000 local terms energy: -20.938794 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -3.870 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: 2 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -19.877234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.877234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.877234 (E_RNA) where: Base-Base interactions energy: -0.886 where: short stacking energy: 0.153 Base-Backbone interact. energy: -0.096 local terms energy: -18.895370 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -2.062 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: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -20.525448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.525448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.525448 (E_RNA) where: Base-Base interactions energy: -4.947 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.128 local terms energy: -15.451037 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -2.908 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: 0.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -18.158081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.158081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.158081 (E_RNA) where: Base-Base interactions energy: 0.025 where: short stacking energy: 0.025 Base-Backbone interact. energy: -0.000 local terms energy: -18.182562 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -21.456380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.456380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.456380 (E_RNA) where: Base-Base interactions energy: -2.119 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.302400 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.823 flat angles P-C4'-P energy: -4.701 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: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -21.437442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.437442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.437442 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.529 local terms energy: -20.908023 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -23.426911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.426911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.426911 (E_RNA) where: Base-Base interactions energy: -5.274 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.143182 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: 1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -21.577093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.577093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.577093 (E_RNA) where: Base-Base interactions energy: 0.199 where: short stacking energy: 0.199 Base-Backbone interact. energy: -0.000 local terms energy: -21.775473 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -3.294 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: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -19.766458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.766458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.766458 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.177 local terms energy: -19.589284 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -4.191 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: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -22.744227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.744227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.744227 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.744220 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.267 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: 6, replica: 9 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -20.898544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.898544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.898544 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.898482 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.725 flat angles P-C4'-P energy: -4.109 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: 7, replica: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -20.064042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.064042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.064042 (E_RNA) where: Base-Base interactions energy: -1.321 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -18.717589 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -0.952 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: 8, replica: 2 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -20.864844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.864844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.864844 (E_RNA) where: Base-Base interactions energy: 0.852 where: short stacking energy: 0.852 Base-Backbone interact. energy: -0.090 local terms energy: -21.626678 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -20.098138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.098138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.098138 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.098138 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: -2.777 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: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -18.393672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.393672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.393672 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.156 local terms energy: -18.437835 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: 0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -22.404751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.404751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.404751 (E_RNA) where: Base-Base interactions energy: -4.166 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.232975 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: 0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -20.720925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.720925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.720925 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -20.630328 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.875 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -21.640783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.640783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.640783 (E_RNA) where: Base-Base interactions energy: -4.733 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -16.815641 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: 1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -20.981574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.981574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.981574 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.976593 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -20.535976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.535976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.535976 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.535918 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -19.986758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.986758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.986758 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.487 local terms energy: -19.500044 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -4.535 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: 7, replica: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -18.978918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.978918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.978918 (E_RNA) where: Base-Base interactions energy: 0.101 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.197 local terms energy: -19.277204 where: bonds (distance) C4'-P energy: -1.984 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -4.399 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: 10 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -20.878361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.878361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.878361 (E_RNA) where: Base-Base interactions energy: -3.870 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.582 local terms energy: -16.426618 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -2.007 tors. eta vs tors. theta energy: 2.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -18.918329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.918329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.918329 (E_RNA) where: Base-Base interactions energy: -0.060 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.012 local terms energy: -18.845826 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -2.633 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -21.074961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.074961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.074961 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.074875 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -4.469 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: 1, replica: 1 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -23.052150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.052150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.052150 (E_RNA) where: Base-Base interactions energy: -4.826 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -18.081535 where: bonds (distance) C4'-P energy: -4.447 bonds (distance) P-C4' energy: -4.268 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: 0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -22.722163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.722163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.722163 (E_RNA) where: Base-Base interactions energy: -2.990 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.696560 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: 1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -20.905947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.905947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.905947 (E_RNA) where: Base-Base interactions energy: -2.457 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -18.412680 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: 0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -20.840616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.840616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.840616 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -20.732296 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -4.563 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: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -20.669150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.669150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.669150 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.669136 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -19.623705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.623705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.623705 (E_RNA) where: Base-Base interactions energy: 0.536 where: short stacking energy: 0.536 Base-Backbone interact. energy: -0.069 local terms energy: -20.090536 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -21.278816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.278816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.278816 (E_RNA) where: Base-Base interactions energy: 0.242 where: short stacking energy: 0.242 Base-Backbone interact. energy: -0.000 local terms energy: -21.520556 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -19.519589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.519589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.519589 (E_RNA) where: Base-Base interactions energy: -3.493 where: short stacking energy: 0.282 Base-Backbone interact. energy: -0.011 local terms energy: -16.015575 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -3.306 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: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -21.510236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.510236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.510236 (E_RNA) where: Base-Base interactions energy: -7.405 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.211 local terms energy: -13.893711 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.893 flat angles P-C4'-P energy: -2.323 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: 10, replica: 2 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -19.890753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.890753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.890753 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.170 local terms energy: -19.720815 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: 0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -20.565335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.565335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.565335 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.000 local terms energy: -20.565361 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -21.169899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.169899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.169899 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.169841 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.415 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: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -22.419389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.419389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.419389 (E_RNA) where: Base-Base interactions energy: -4.923 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.494116 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.957 flat angles P-C4'-P energy: -3.990 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: 4, replica: 5 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -24.831638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.831638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.831638 (E_RNA) where: Base-Base interactions energy: -6.974 where: short stacking energy: 0.400 Base-Backbone interact. energy: 0.209 local terms energy: -18.066399 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -20.068305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.068305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.068305 (E_RNA) where: Base-Base interactions energy: 0.774 where: short stacking energy: 0.774 Base-Backbone interact. energy: -0.076 local terms energy: -20.766575 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -19.846838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.846838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.846838 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.843822 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.080 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: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -21.251571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.251571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.251571 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.251046 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -0.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -19.430420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.430420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.430420 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.340758 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: 0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -19.258269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.258269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.258269 (E_RNA) where: Base-Base interactions energy: -1.650 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.549 local terms energy: -17.059376 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -3.753 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: 2 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -19.669303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.669303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.669303 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.645967 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -24.470515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.470515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.470515 (E_RNA) where: Base-Base interactions energy: -3.264 where: short stacking energy: 0.296 Base-Backbone interact. energy: -0.037 local terms energy: -21.168809 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.082 flat angles P-C4'-P energy: -4.665 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: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -21.904393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.904393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.904393 (E_RNA) where: Base-Base interactions energy: -8.520 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -13.328201 where: bonds (distance) C4'-P energy: -2.882 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.318 flat angles P-C4'-P energy: -4.325 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: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -20.543632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.543632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.543632 (E_RNA) where: Base-Base interactions energy: -0.875 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -19.600414 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.219 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: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -19.805551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.805551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.805551 (E_RNA) where: Base-Base interactions energy: -1.063 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -18.674574 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.421 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: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -22.837909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.837909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.837909 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.837389 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -19.605283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.605283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.605283 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.280 local terms energy: -19.324802 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -4.495 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: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -18.970045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.970045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.970045 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.965621 where: bonds (distance) C4'-P energy: -2.878 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -3.406 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: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -18.199947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.199947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.199947 (E_RNA) where: Base-Base interactions energy: 0.036 where: short stacking energy: 0.036 Base-Backbone interact. energy: -0.002 local terms energy: -18.234152 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -20.127582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.127582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.127582 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -20.000151 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -20.459523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.459523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.459523 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.459465 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -21.811568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.811568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.811568 (E_RNA) where: Base-Base interactions energy: -3.444 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.219 local terms energy: -18.586111 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -3.098 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: 2, replica: 5 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -21.274693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.274693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.274693 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.274318 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -3.595 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: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -23.177197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.177197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.177197 (E_RNA) where: Base-Base interactions energy: -4.306 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.100 local terms energy: -18.770843 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -3.869 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: 4, replica: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -19.619790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.619790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.619790 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.618748 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -21.812871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.812871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.812871 (E_RNA) where: Base-Base interactions energy: -5.193 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -16.516391 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -2.057 tors. eta vs tors. theta energy: -0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -20.965311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.965311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.965311 (E_RNA) where: Base-Base interactions energy: -5.665 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -15.247338 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: 0.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -19.973455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.973455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.973455 (E_RNA) where: Base-Base interactions energy: -3.734 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -16.142640 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -2.368 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: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -19.955181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.955181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.955181 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -19.941283 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.553 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: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -21.983682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.983682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.983682 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -21.888357 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -20.789118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.789118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.789118 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -20.752908 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -4.656 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: 1, replica: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -21.443746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.443746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.443746 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.443743 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.569 flat angles P-C4'-P energy: -4.152 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: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -21.887438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.887438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.887438 (E_RNA) where: Base-Base interactions energy: -8.077 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.202 local terms energy: -13.608606 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -2.482 tors. eta vs tors. theta energy: 2.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -22.715475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.715475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.715475 (E_RNA) where: Base-Base interactions energy: -2.218 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -20.448876 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -4.431 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: 4, replica: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -20.571564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.571564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.571564 (E_RNA) where: Base-Base interactions energy: -1.946 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -18.568400 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.094 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: 5, replica: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -20.632219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.632219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.632219 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.757 local terms energy: -19.875703 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -3.768 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: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -23.698933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.698933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.698933 (E_RNA) where: Base-Base interactions energy: -5.440 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -18.149001 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: 1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -19.684123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.684123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.684123 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -19.666620 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: 0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -19.558331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.558331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.558331 (E_RNA) where: Base-Base interactions energy: -0.043 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -19.486538 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -19.522711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.522711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.522711 (E_RNA) where: Base-Base interactions energy: 0.010 where: short stacking energy: 0.010 Base-Backbone interact. energy: -0.121 local terms energy: -19.411919 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.327 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: 0.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -19.216370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.216370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.216370 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.214827 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.349 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: 1, replica: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -20.834441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.834441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.834441 (E_RNA) where: Base-Base interactions energy: -1.650 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -19.080975 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -4.225 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: 2, replica: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -24.882253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.882253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.882253 (E_RNA) where: Base-Base interactions energy: -4.983 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.898847 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -3.666 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: 3, replica: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -21.056481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.056481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.056481 (E_RNA) where: Base-Base interactions energy: 0.501 where: short stacking energy: 0.501 Base-Backbone interact. energy: -0.009 local terms energy: -21.548494 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -23.580891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.580891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.580891 (E_RNA) where: Base-Base interactions energy: -4.806 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -18.632961 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.196 flat angles P-C4'-P energy: -4.598 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: 5, replica: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -19.600601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.600601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.600601 (E_RNA) where: Base-Base interactions energy: -2.939 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -16.554799 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.627 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: 2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -20.772077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.772077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.772077 (E_RNA) where: Base-Base interactions energy: -0.175 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.597154 where: bonds (distance) C4'-P energy: -4.066 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -3.096 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: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -20.590395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.590395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.590395 (E_RNA) where: Base-Base interactions energy: -0.413 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -20.069522 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: -4.361 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: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -19.412040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.412040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.412040 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.816 local terms energy: -18.596427 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -18.550049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.550049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.550049 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.550029 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -20.480973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.480973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.480973 (E_RNA) where: Base-Base interactions energy: -1.677 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.803662 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.536 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -22.902800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.902800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.902800 (E_RNA) where: Base-Base interactions energy: -2.324 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.579052 where: bonds (distance) C4'-P energy: -3.243 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -21.567334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.567334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.567334 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.000 local terms energy: -22.067297 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -21.125946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.125946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.125946 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -21.055626 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.786 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: 4 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -21.436576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.436576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.436576 (E_RNA) where: Base-Base interactions energy: -3.974 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.354 local terms energy: -17.109322 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: 1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -20.713919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.713919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.713919 (E_RNA) where: Base-Base interactions energy: -5.425 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.051 local terms energy: -16.340165 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -20.257075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.257075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.257075 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.251263 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.439 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: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -21.217251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.217251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.217251 (E_RNA) where: Base-Base interactions energy: -5.284 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -15.847782 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -3.301 flat angles P-C4'-P energy: -2.438 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -18.200775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.200775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.200775 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.200144 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: 0.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -18.749356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.749356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.749356 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.749345 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -2.546 tors. eta vs tors. theta energy: -0.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -19.421764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.421764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.421764 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -19.285047 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: 0.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -23.635827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.635827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.635827 (E_RNA) where: Base-Base interactions energy: -5.945 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.383 local terms energy: -17.307617 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.511 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: 2, replica: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -21.989393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.989393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.989393 (E_RNA) where: Base-Base interactions energy: -1.993 where: short stacking energy: 0.661 Base-Backbone interact. energy: -0.269 local terms energy: -19.727987 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -3.873 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: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -21.170190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.170190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.170190 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.170070 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -21.139416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.139416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.139416 (E_RNA) where: Base-Base interactions energy: -4.835 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -16.298320 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -3.737 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: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -20.448856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.448856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.448856 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -20.299422 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -19.448419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.448419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.448419 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.704 local terms energy: -18.744764 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -0.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -19.434920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.434920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.434920 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.434603 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -2.259 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: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -19.743902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.743902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.743902 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.736394 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -0.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -20.141485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.141485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.141485 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.140040 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -19.229353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.229353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.229353 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -19.135544 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.160 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -22.070521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.070521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.070521 (E_RNA) where: Base-Base interactions energy: -2.518 where: short stacking energy: 0.056 Base-Backbone interact. energy: -0.110 local terms energy: -19.442586 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -3.948 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: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -21.490900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.490900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.490900 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -21.690898 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -20.121072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.121072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.121072 (E_RNA) where: Base-Base interactions energy: -4.687 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -15.433287 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -2.385 tors. eta vs tors. theta energy: 1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -21.790496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.790496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.790496 (E_RNA) where: Base-Base interactions energy: -5.689 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.195 local terms energy: -15.906804 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: 1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -20.499948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.499948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.499948 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.499698 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -19.899686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.899686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.899686 (E_RNA) where: Base-Base interactions energy: 0.124 where: short stacking energy: 0.124 Base-Backbone interact. energy: -0.000 local terms energy: -20.023922 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -3.924 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: 7, replica: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -20.468993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.468993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.468993 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.468980 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -4.466 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: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -20.846166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.846166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.846166 (E_RNA) where: Base-Base interactions energy: -2.917 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -17.918975 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -1.647 tors. eta vs tors. theta energy: -0.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -19.582394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.582394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.582394 (E_RNA) where: Base-Base interactions energy: -2.588 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.240 local terms energy: -16.754172 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: 1.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -19.001164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.001164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.001164 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.223 local terms energy: -19.224196 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -3.660 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: 1, replica: 1 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -22.240584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.240584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.240584 (E_RNA) where: Base-Base interactions energy: -4.814 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -17.398757 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.179 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -23.091847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.091847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.091847 (E_RNA) where: Base-Base interactions energy: -5.547 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.321 local terms energy: -17.223197 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.650 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: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -20.466383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.466383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.466383 (E_RNA) where: Base-Base interactions energy: -1.194 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.143 local terms energy: -18.129206 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -2.510 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: 4, replica: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -20.757278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.757278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.757278 (E_RNA) where: Base-Base interactions energy: -1.198 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.475290 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -1.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -22.243628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.243628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.243628 (E_RNA) where: Base-Base interactions energy: -0.749 where: short stacking energy: 0.193 Base-Backbone interact. energy: -0.713 local terms energy: -20.781015 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -3.813 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: 6, replica: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -21.325528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.325528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.325528 (E_RNA) where: Base-Base interactions energy: 0.562 where: short stacking energy: 0.562 Base-Backbone interact. energy: -0.007 local terms energy: -21.880041 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -20.463712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.463712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.463712 (E_RNA) where: Base-Base interactions energy: 0.160 where: short stacking energy: 0.160 Base-Backbone interact. energy: -0.000 local terms energy: -20.623465 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -2.115 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -18.624964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.624964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.624964 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -18.610674 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -19.636820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.636820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.636820 (E_RNA) where: Base-Base interactions energy: -1.886 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.750416 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -18.815756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.815756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.815756 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -18.673934 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: 0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -21.989995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.989995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.989995 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.989938 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -22.159985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.159985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.159985 (E_RNA) where: Base-Base interactions energy: -5.277 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -16.844491 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -2.560 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: 3, replica: 9 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -22.189668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.189668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.189668 (E_RNA) where: Base-Base interactions energy: -2.300 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.912 local terms energy: -18.976947 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -20.593016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.593016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.593016 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.593010 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -3.648 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: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -20.921038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.921038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.921038 (E_RNA) where: Base-Base interactions energy: 0.108 where: short stacking energy: 0.108 Base-Backbone interact. energy: -0.000 local terms energy: -21.028922 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -3.374 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: 6, replica: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -21.974191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.974191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.974191 (E_RNA) where: Base-Base interactions energy: -2.870 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.098567 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -2.003 tors. eta vs tors. theta energy: -0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -21.167697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.167697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.167697 (E_RNA) where: Base-Base interactions energy: -4.440 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -16.723494 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -3.077 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: 8, replica: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -19.773700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.773700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.773700 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.773403 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -2.287 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -20.173569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.173569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.173569 (E_RNA) where: Base-Base interactions energy: 0.414 where: short stacking energy: 0.414 Base-Backbone interact. energy: -0.000 local terms energy: -20.587053 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.573 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -20.240724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.240724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.240724 (E_RNA) where: Base-Base interactions energy: -1.867 where: short stacking energy: 1.201 Base-Backbone interact. energy: -0.154 local terms energy: -18.220021 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.125 flat angles P-C4'-P energy: -3.221 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: 1, replica: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -23.194816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.194816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.194816 (E_RNA) where: Base-Base interactions energy: -0.483 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.215 local terms energy: -22.496812 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -3.430 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: 2, replica: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -21.186513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.186513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.186513 (E_RNA) where: Base-Base interactions energy: -3.052 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.128191 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -3.906 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: 3, replica: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -20.565317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.565317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.565317 (E_RNA) where: Base-Base interactions energy: -2.851 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -17.673185 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: 1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -19.799359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.799359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.799359 (E_RNA) where: Base-Base interactions energy: -5.969 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.172 local terms energy: -13.658342 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -2.018 tors. eta vs tors. theta energy: 3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -21.406649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.406649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.406649 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.506570 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -4.316 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: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -22.143130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.143130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.143130 (E_RNA) where: Base-Base interactions energy: -6.122 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -15.905964 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: 2.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -19.841300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.841300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.841300 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.840312 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -3.973 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: 8, replica: 3 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -22.735235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.735235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.735235 (E_RNA) where: Base-Base interactions energy: -6.009 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -16.644994 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -4.323 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: 4 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -19.467979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.467979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.467979 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -19.361874 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -4.475 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: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -19.940931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.940931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.940931 (E_RNA) where: Base-Base interactions energy: -1.780 where: short stacking energy: 0.424 Base-Backbone interact. energy: -0.001 local terms energy: -18.160525 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -2.079 tors. eta vs tors. theta energy: -0.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -21.660986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.660986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.660986 (E_RNA) where: Base-Base interactions energy: -2.347 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.290620 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -20.605173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.605173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.605173 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -20.551351 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.342 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: 3, replica: 10 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -20.991819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.991819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.991819 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.044 local terms energy: -21.047410 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -3.706 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: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -20.257834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.257834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.257834 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.453 local terms energy: -19.804806 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -3.118 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: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -21.669667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.669667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.669667 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.669664 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -3.162 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: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -19.569488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.569488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.569488 (E_RNA) where: Base-Base interactions energy: -1.970 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.209 local terms energy: -17.390731 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -3.012 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: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -21.406662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.406662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.406662 (E_RNA) where: Base-Base interactions energy: -2.534 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -18.834742 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -20.591608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.591608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.591608 (E_RNA) where: Base-Base interactions energy: -0.545 where: short stacking energy: 0.180 Base-Backbone interact. energy: -0.968 local terms energy: -19.079121 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -1.369 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -19.693644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.693644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.693644 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -19.599354 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -21.322083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.322083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.322083 (E_RNA) where: Base-Base interactions energy: -5.530 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.246 local terms energy: -15.545767 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -2.490 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: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -20.936609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.936609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.936609 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.930999 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.423 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: 2, replica: 10 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -25.157384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.157384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.157384 (E_RNA) where: Base-Base interactions energy: -5.736 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -19.352219 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -21.549611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.549611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.549611 (E_RNA) where: Base-Base interactions energy: -2.416 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -19.080240 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -1.537 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -20.728353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.728353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.728353 (E_RNA) where: Base-Base interactions energy: -4.952 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -15.695534 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -1.988 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: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -21.538884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.538884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.538884 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.538884 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -21.071936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.071936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.071936 (E_RNA) where: Base-Base interactions energy: 0.128 where: short stacking energy: 0.128 Base-Backbone interact. energy: 0.164 local terms energy: -21.363682 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -1.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -22.681923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.681923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.681923 (E_RNA) where: Base-Base interactions energy: -3.142 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -19.523203 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -4.279 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: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -18.953044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.953044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.953044 (E_RNA) where: Base-Base interactions energy: -4.438 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.327 local terms energy: -14.188270 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: 3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -19.830803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.830803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.830803 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.830638 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -2.869 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: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -18.944532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.944532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.944532 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.937224 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -21.110648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.110648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.110648 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.017 local terms energy: -20.093330 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -21.910371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.910371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.910371 (E_RNA) where: Base-Base interactions energy: -4.746 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -17.127738 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -3.349 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: 3, replica: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -20.980951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.980951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.980951 (E_RNA) where: Base-Base interactions energy: -4.697 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.269 local terms energy: -16.552630 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -2.499 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: 4, replica: 2 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -19.857364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.857364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.857364 (E_RNA) where: Base-Base interactions energy: -1.217 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.647 local terms energy: -17.993068 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: 1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -23.683555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.683555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.683555 (E_RNA) where: Base-Base interactions energy: -5.357 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -18.236818 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: 0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -20.891305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.891305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.891305 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.891278 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -20.181554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.181554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.181554 (E_RNA) where: Base-Base interactions energy: 1.802 where: short stacking energy: 1.802 Base-Backbone interact. energy: -0.000 local terms energy: -21.983155 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -18.933482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.933482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.933482 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -18.836007 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -2.076 tors. eta vs tors. theta energy: 0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -21.142297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.142297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.142297 (E_RNA) where: Base-Base interactions energy: -3.382 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -17.666110 where: bonds (distance) C4'-P energy: -2.339 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.663 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: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -20.797208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.797208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.797208 (E_RNA) where: Base-Base interactions energy: 0.057 where: short stacking energy: 0.057 Base-Backbone interact. energy: -0.000 local terms energy: -20.854215 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -21.718969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.718969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.718969 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.718074 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -21.898422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.898422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.898422 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.898083 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -21.853614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.853614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.853614 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -21.756806 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -3.719 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: 4, replica: 2 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -20.992656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.992656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.992656 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.160 local terms energy: -13.304464 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -1.502 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: 5, replica: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -22.662789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.662789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.662789 (E_RNA) where: Base-Base interactions energy: -5.821 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -16.807350 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -2.092 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: 6, replica: 5 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -22.306582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.306582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.306582 (E_RNA) where: Base-Base interactions energy: -2.069 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.889 local terms energy: -19.348227 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -3.246 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: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -19.525878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.525878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.525878 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.525827 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.667 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -19.285834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.285834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.285834 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.356 local terms energy: -19.641938 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.848 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: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -21.003101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.003101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.003101 (E_RNA) where: Base-Base interactions energy: -0.687 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.311204 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -3.981 flat angles P-C4'-P energy: -4.140 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: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -19.305274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.305274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.305274 (E_RNA) where: Base-Base interactions energy: 1.000 where: short stacking energy: 1.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.302589 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -1.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -20.741476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.741476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.741476 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.734749 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.058 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: 2, replica: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -20.602090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.602090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.602090 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -20.562992 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.109 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: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -23.227084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.227084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.227084 (E_RNA) where: Base-Base interactions energy: -5.497 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -17.671271 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: 1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -20.984821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.984821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.984821 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -21.171794 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -4.542 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: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -19.822617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.822617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.822617 (E_RNA) where: Base-Base interactions energy: -4.203 where: short stacking energy: 0.468 Base-Backbone interact. energy: -0.061 local terms energy: -15.558154 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: 1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -20.409627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.409627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.409627 (E_RNA) where: Base-Base interactions energy: -3.094 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.263 local terms energy: -17.052396 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -2.604 tors. eta vs tors. theta energy: 0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -20.030244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.030244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.030244 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.629 local terms energy: -19.400748 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -20.839346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.839346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.839346 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.839232 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -3.055 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: 8 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -20.789697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.789697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.789697 (E_RNA) where: Base-Base interactions energy: -4.125 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -16.632726 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: 0.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -19.240727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.240727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.240727 (E_RNA) where: Base-Base interactions energy: 0.228 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -19.367917 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -21.692568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.692568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.692568 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.692564 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.106 flat angles P-C4'-P energy: -4.505 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: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -21.285326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.285326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.285326 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.283979 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -1.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -20.532529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.532529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.532529 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.532056 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -4.687 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: 4, replica: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -20.899331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.899331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.899331 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.898367 where: bonds (distance) C4'-P energy: -3.560 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -2.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -22.286766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.286766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.286766 (E_RNA) where: Base-Base interactions energy: -4.906 where: short stacking energy: 0.207 Base-Backbone interact. energy: -0.083 local terms energy: -17.297298 where: bonds (distance) C4'-P energy: -1.665 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.808 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -1.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -22.935323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.935323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.935323 (E_RNA) where: Base-Base interactions energy: -4.877 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.453 local terms energy: -17.605825 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: 2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -19.255233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.255233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.255233 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.177 local terms energy: -19.078034 where: bonds (distance) C4'-P energy: -3.225 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: 0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -19.295700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.295700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.295700 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.294864 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -4.508 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: 3 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -19.330220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.330220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.330220 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.327261 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -4.330 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: 10, replica: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -19.576838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.576838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.576838 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -19.463989 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -22.936209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.936209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.936209 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.936207 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -3.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -20.534401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.534401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.534401 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.532986 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.475 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: 3, replica: 5 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -21.597855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.597855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.597855 (E_RNA) where: Base-Base interactions energy: -4.768 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -16.740985 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: 3.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -22.029730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.029730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.029730 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.029728 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -3.796 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: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -20.426428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.426428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.426428 (E_RNA) where: Base-Base interactions energy: -5.770 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.326 local terms energy: -14.330424 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.145 flat angles P-C4'-P energy: -2.692 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: 6, replica: 9 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -20.845328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.845328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.845328 (E_RNA) where: Base-Base interactions energy: -2.346 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.496361 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.501 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -19.459077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.459077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.459077 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.456669 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -4.108 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: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -19.700820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.700820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.700820 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.698026 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -1.861 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: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -21.491650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.491650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.491650 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.491645 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.783 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: 10, replica: 3 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -20.240736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.240736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.240736 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.240457 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -22.957503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.957503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.957503 (E_RNA) where: Base-Base interactions energy: -6.072 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -16.803689 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: 2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -22.172192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.172192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.172192 (E_RNA) where: Base-Base interactions energy: -5.761 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -16.345256 where: bonds (distance) C4'-P energy: -2.649 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -3.773 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: 3, replica: 5 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -20.743999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.743999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.743999 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.743894 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -20.029697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.029697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.029697 (E_RNA) where: Base-Base interactions energy: -2.207 where: short stacking energy: 0.435 Base-Backbone interact. energy: -0.067 local terms energy: -17.755288 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -20.866099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.866099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.866099 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.850719 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.707 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: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -19.523825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.523825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.523825 (E_RNA) where: Base-Base interactions energy: -3.582 where: short stacking energy: 0.557 Base-Backbone interact. energy: -0.012 local terms energy: -15.929402 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: 1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -19.327654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.327654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.327654 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -19.285451 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: 1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -19.170558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.170558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.170558 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -19.060829 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -2.079 flat angles P-C4'-P energy: -4.213 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: 9, replica: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -18.525263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.525263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.525263 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.525109 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: 0.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -19.702182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.702182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.702182 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.666809 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.037 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: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -25.584530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.584530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.584530 (E_RNA) where: Base-Base interactions energy: -5.602 where: short stacking energy: 0.075 Base-Backbone interact. energy: -0.269 local terms energy: -19.713769 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -24.629557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.629557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.629557 (E_RNA) where: Base-Base interactions energy: -5.298 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.002 local terms energy: -18.330412 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: 1.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -22.762039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.762039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.762039 (E_RNA) where: Base-Base interactions energy: -1.916 where: short stacking energy: 0.061 Base-Backbone interact. energy: 0.594 local terms energy: -21.440010 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.202 flat angles P-C4'-P energy: -3.988 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: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -21.275441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.275441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.275441 (E_RNA) where: Base-Base interactions energy: -5.254 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -15.915881 where: bonds (distance) C4'-P energy: -3.163 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: 2.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -19.366332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.366332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.366332 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.423 local terms energy: -18.943234 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -4.044 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: 6, replica: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -20.652381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.652381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.652381 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.651562 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -0.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -20.011837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.011837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.011837 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.011836 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -3.827 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -20.386552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.386552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.386552 (E_RNA) where: Base-Base interactions energy: -4.071 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.185 local terms energy: -16.131310 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -3.340 flat angles P-C4'-P energy: -3.566 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: 9, replica: 3 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -19.731130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.731130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.731130 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.096 local terms energy: -19.834838 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -18.836152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.836152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.836152 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -18.747362 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -4.087 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: 1, replica: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -22.052686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.052686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.052686 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.052612 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -4.618 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: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -21.469623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.469623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.469623 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -21.387433 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -4.530 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: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -19.492697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.492697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.492697 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.491381 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -3.015 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: 4, replica: 8 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -19.979768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.979768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.979768 (E_RNA) where: Base-Base interactions energy: 0.170 where: short stacking energy: 0.170 Base-Backbone interact. energy: -0.000 local terms energy: -20.149317 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -3.861 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: 5, replica: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -23.565037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.565037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.565037 (E_RNA) where: Base-Base interactions energy: -5.399 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.160277 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.247 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: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -21.731278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.731278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.731278 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.086 local terms energy: -21.817452 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -4.477 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: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -21.617874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.617874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.617874 (E_RNA) where: Base-Base interactions energy: -4.353 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -17.258490 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -1.775 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -19.998390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.998390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.998390 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.994438 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.153 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: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -18.361619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.361619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.361619 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.361244 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -2.670 tors. eta vs tors. theta energy: -0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -18.747251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.747251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.747251 (E_RNA) where: Base-Base interactions energy: -0.758 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -17.947285 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -4.749 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: 1, replica: 4 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -20.912168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.912168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.912168 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -20.837613 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -4.173 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: 2, replica: 1 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -20.731409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.731409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.731409 (E_RNA) where: Base-Base interactions energy: 0.082 where: short stacking energy: 0.082 Base-Backbone interact. energy: -1.012 local terms energy: -19.801815 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -23.111527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.111527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.111527 (E_RNA) where: Base-Base interactions energy: -4.233 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.391 local terms energy: -18.488135 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -2.081 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: 4, replica: 2 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -22.343643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.343643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.343643 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.343642 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -3.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -20.261604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.261604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.261604 (E_RNA) where: Base-Base interactions energy: -1.858 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.534 local terms energy: -18.937319 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -23.557504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.557504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.557504 (E_RNA) where: Base-Base interactions energy: -4.987 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -18.527365 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -20.731200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.731200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.731200 (E_RNA) where: Base-Base interactions energy: -1.910 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.721782 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.246 flat angles P-C4'-P energy: -1.908 tors. eta vs tors. theta energy: -3.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -20.888126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.888126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.888126 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.888124 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -2.761 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: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -18.719643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.719643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.719643 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: 0.157 Base-Backbone interact. energy: -0.052 local terms energy: -17.205588 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: 0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -21.934157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.934157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.934157 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -21.919000 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -3.163 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: 1, replica: 4 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -20.608092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.608092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.608092 (E_RNA) where: Base-Base interactions energy: -1.063 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.379 local terms energy: -19.165259 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -4.337 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: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -20.883800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.883800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.883800 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.883627 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -4.059 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: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -21.964028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.964028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.964028 (E_RNA) where: Base-Base interactions energy: -6.265 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.254 local terms energy: -15.444368 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: -2.331 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: 4, replica: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -23.731264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.731264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.731264 (E_RNA) where: Base-Base interactions energy: -3.013 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.717504 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -4.645 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: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -19.827122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.827122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.827122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.827121 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -2.756 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: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -23.034411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.034411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.034411 (E_RNA) where: Base-Base interactions energy: -1.737 where: short stacking energy: 0.121 Base-Backbone interact. energy: -0.007 local terms energy: -21.290844 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -20.638024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.638024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.638024 (E_RNA) where: Base-Base interactions energy: -1.273 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.363057 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -3.135 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: 8, replica: 7 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -19.506963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.506963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.506963 (E_RNA) where: Base-Base interactions energy: 0.006 where: short stacking energy: 0.006 Base-Backbone interact. energy: -0.650 local terms energy: -18.862060 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -19.271450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.271450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.271450 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.578 local terms energy: -18.693233 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: 0.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -18.793121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.793121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.793121 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -18.745654 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: 2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -21.658444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.658444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.658444 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.654282 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -3.889 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: 2, replica: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -21.597688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.597688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.597688 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.597626 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -21.200850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.200850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.200850 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -21.176846 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.083 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: 4, replica: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -20.675864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.675864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.675864 (E_RNA) where: Base-Base interactions energy: -1.458 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.156 local terms energy: -18.061790 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -1.485 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -20.465174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.465174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.465174 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.465152 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -3.192 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: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -22.116059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.116059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.116059 (E_RNA) where: Base-Base interactions energy: -2.772 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.341790 where: bonds (distance) C4'-P energy: -3.155 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -21.391890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.391890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.391890 (E_RNA) where: Base-Base interactions energy: -2.081 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.128 local terms energy: -19.182876 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: 0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -19.583254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.583254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.583254 (E_RNA) where: Base-Base interactions energy: -5.729 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -13.700182 where: bonds (distance) C4'-P energy: -3.888 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.268 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: 0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -19.835404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.835404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.835404 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.833705 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -3.653 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: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -22.394797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.394797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.394797 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -22.379607 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -22.566948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.566948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.566948 (E_RNA) where: Base-Base interactions energy: -1.824 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -20.685812 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.506 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: 2, replica: 6 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -21.338537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.338537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.338537 (E_RNA) where: Base-Base interactions energy: -1.371 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.966902 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: 0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -21.285978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.285978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.285978 (E_RNA) where: Base-Base interactions energy: -2.497 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.787639 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -22.268673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.268673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.268673 (E_RNA) where: Base-Base interactions energy: -4.246 where: short stacking energy: 0.528 Base-Backbone interact. energy: -0.077 local terms energy: -17.945772 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: 1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -19.567909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.567909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.567909 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.963 local terms energy: -20.531276 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.610 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: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -20.934714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.934714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.934714 (E_RNA) where: Base-Base interactions energy: -0.987 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.947891 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -2.846 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: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -18.582207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.582207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.582207 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.573415 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: 0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -19.848584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.848584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.848584 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -19.771331 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -3.926 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: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -18.831278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.831278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.831278 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.830566 where: bonds (distance) C4'-P energy: -4.903 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -3.328 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: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -18.036910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.036910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.036910 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -17.965982 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -2.198 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -21.519125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.519125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.519125 (E_RNA) where: Base-Base interactions energy: -0.438 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.907 local terms energy: -20.174356 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -4.110 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: 2, replica: 8 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -20.751318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.751318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.751318 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.746768 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -20.062604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.062604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.062604 (E_RNA) where: Base-Base interactions energy: 0.049 where: short stacking energy: 0.240 Base-Backbone interact. energy: -0.073 local terms energy: -20.038852 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.532 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: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -20.717097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.717097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.717097 (E_RNA) where: Base-Base interactions energy: -4.152 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -16.498490 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: 2.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -21.254457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.254457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.254457 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.594 local terms energy: -19.660827 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: 0.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -20.835276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.835276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.835276 (E_RNA) where: Base-Base interactions energy: 0.097 where: short stacking energy: 0.097 Base-Backbone interact. energy: -0.086 local terms energy: -20.845716 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -22.645242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.645242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.645242 (E_RNA) where: Base-Base interactions energy: -8.621 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.141 local terms energy: -13.883384 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: 3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -20.466305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.466305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.466305 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.456457 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -19.205762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.205762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.205762 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -19.129364 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -19.022150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.022150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.022150 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.022040 where: bonds (distance) C4'-P energy: -3.888 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -23.172185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.172185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.172185 (E_RNA) where: Base-Base interactions energy: 0.483 where: short stacking energy: 0.483 Base-Backbone interact. energy: -0.000 local terms energy: -23.655159 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -20.812160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.812160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.812160 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.811881 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -2.696 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -21.721636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.721636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.721636 (E_RNA) where: Base-Base interactions energy: -4.516 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -17.109508 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: 0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -21.189215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.189215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.189215 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -21.173009 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.224 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: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -21.853512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.853512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.853512 (E_RNA) where: Base-Base interactions energy: -5.311 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.227 local terms energy: -16.316219 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: 2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -21.321741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.321741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.321741 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.318370 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.936 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: 7, replica: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -21.884686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.884686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.884686 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.884091 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -20.255703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.255703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.255703 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.255702 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -19.535111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.535111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.535111 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -19.510353 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: 1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -19.744469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.744469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.744469 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -19.704331 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.466 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: 1, replica: 3 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -22.159129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.159129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.159129 (E_RNA) where: Base-Base interactions energy: -4.058 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.098279 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: 0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -19.695293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.695293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.695293 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.063 local terms energy: -19.932769 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -0.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -20.338841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.338841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.338841 (E_RNA) where: Base-Base interactions energy: -3.420 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -16.916151 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: 0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -21.481304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.481304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.481304 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.481304 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -3.787 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: 5, replica: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -19.490611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.490611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.490611 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.488163 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: 0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -21.013634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.013634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.013634 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.013426 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -19.337512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.337512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.337512 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.163 local terms energy: -19.174192 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -19.775894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.775894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.775894 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.134 local terms energy: -19.642276 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.198 flat angles P-C4'-P energy: -4.226 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: 9, replica: 5 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -21.300473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.300473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.300473 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.300473 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.342 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: 10, replica: 2 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -20.132164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.132164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.132164 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.131009 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -20.356298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.356298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.356298 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -20.312189 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: 0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -21.401278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.401278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.401278 (E_RNA) where: Base-Base interactions energy: -8.838 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.217 local terms energy: -12.345759 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -1.814 flat angles P-C4'-P energy: -1.781 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: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -20.575504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.575504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.575504 (E_RNA) where: Base-Base interactions energy: -0.953 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.195 local terms energy: -19.817110 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -1.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -21.236149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.236149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.236149 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.227852 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -3.440 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: 5, replica: 8 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -23.490260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.490260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.490260 (E_RNA) where: Base-Base interactions energy: -5.613 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.116 local terms energy: -17.760887 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -1.148 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -22.141745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.141745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.141745 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.141743 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -3.324 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: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -20.852876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.852876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.852876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.839496 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -3.737 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: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -19.463876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.463876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.463876 (E_RNA) where: Base-Base interactions energy: 0.610 where: short stacking energy: 0.610 Base-Backbone interact. energy: -0.014 local terms energy: -20.059324 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -19.667116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.667116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.667116 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.667110 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -2.247 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: 2 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -18.797131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.797131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.797131 (E_RNA) where: Base-Base interactions energy: 0.058 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -18.789393 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: 1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -21.476546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.476546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.476546 (E_RNA) where: Base-Base interactions energy: 0.195 where: short stacking energy: 0.195 Base-Backbone interact. energy: -0.064 local terms energy: -21.608187 where: bonds (distance) C4'-P energy: -5.291 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -22.299766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.299766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.299766 (E_RNA) where: Base-Base interactions energy: -8.015 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.216 local terms energy: -14.069278 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -3.147 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: 4.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -20.772195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.772195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.772195 (E_RNA) where: Base-Base interactions energy: -3.623 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.148996 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.351 flat angles P-C4'-P energy: -2.051 tors. eta vs tors. theta energy: -1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -21.115728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.115728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.115728 (E_RNA) where: Base-Base interactions energy: -5.341 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -15.745041 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: 2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -19.651775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.651775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.651775 (E_RNA) where: Base-Base interactions energy: -0.006 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.911 local terms energy: -18.733896 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -3.212 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: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -19.525367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.525367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.525367 (E_RNA) where: Base-Base interactions energy: 0.112 where: short stacking energy: 0.112 Base-Backbone interact. energy: -0.065 local terms energy: -19.571605 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -20.120319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.120319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.120319 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.120304 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.560 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -19.643263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.643263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.643263 (E_RNA) where: Base-Base interactions energy: -1.082 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.022 local terms energy: -18.583364 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: 1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -20.444959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.444959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.444959 (E_RNA) where: Base-Base interactions energy: -0.270 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.175109 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.305 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: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -19.235147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.235147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.235147 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.235080 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -4.871 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: 1, replica: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -23.539286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.539286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.539286 (E_RNA) where: Base-Base interactions energy: -2.503 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.030235 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -3.274 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -22.467863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.467863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.467863 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -22.363718 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.453 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: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -21.850852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.850852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.850852 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.850852 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -2.611 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: 4, replica: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -19.306496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.306496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.306496 (E_RNA) where: Base-Base interactions energy: -4.536 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.206 local terms energy: -14.564490 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: 2.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -21.777867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.777867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.777867 (E_RNA) where: Base-Base interactions energy: -5.404 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.140 local terms energy: -16.234439 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -0.935 tors. eta vs tors. theta energy: 1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -19.740575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.740575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.740575 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -19.715578 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -20.212991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.212991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.212991 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.209446 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -0.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -20.002141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.002141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.002141 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.002130 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -4.483 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: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -21.596574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.596574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.596574 (E_RNA) where: Base-Base interactions energy: -1.809 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.787279 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.069 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: 10, replica: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -20.627480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.627480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.627480 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.157 local terms energy: -20.469996 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: 0.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -19.844533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.844533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.844533 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.823152 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -4.037 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: 2, replica: 7 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -20.934764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.934764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.934764 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.933111 where: bonds (distance) C4'-P energy: -4.567 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -3.024 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: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -20.950080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.950080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.950080 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -20.896783 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -21.433247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.433247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.433247 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -21.382139 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -4.867 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: 5 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -20.230324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.230324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.230324 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.210065 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.960 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: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -21.872729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.872729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.872729 (E_RNA) where: Base-Base interactions energy: 0.122 where: short stacking energy: 0.122 Base-Backbone interact. energy: -0.000 local terms energy: -21.994829 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -4.228 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: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -20.374747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.374747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.374747 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.368150 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -3.966 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: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -19.784398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.784398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.784398 (E_RNA) where: Base-Base interactions energy: -4.322 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -15.382340 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -1.820 flat angles P-C4'-P energy: -4.278 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: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -21.611106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.611106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.611106 (E_RNA) where: Base-Base interactions energy: -1.992 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -19.578785 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -19.376189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.376189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.376189 (E_RNA) where: Base-Base interactions energy: -1.505 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.393 local terms energy: -17.478428 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -0.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -23.584069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.584069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.584069 (E_RNA) where: Base-Base interactions energy: -1.890 where: short stacking energy: 0.131 Base-Backbone interact. energy: -0.004 local terms energy: -21.689979 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -20.346898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.346898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.346898 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.341772 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -3.179 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: 87 Temperature: 1.000000 Total energy: -21.756381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.756381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.756381 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -21.748927 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -19.965023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.965023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.965023 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.960622 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.343 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: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -20.103984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.103984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.103984 (E_RNA) where: Base-Base interactions energy: -3.505 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -16.597472 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: 2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -21.345760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.345760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.345760 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.345744 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -20.277650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.277650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.277650 (E_RNA) where: Base-Base interactions energy: -3.714 where: short stacking energy: 0.238 Base-Backbone interact. energy: -0.201 local terms energy: -16.362042 where: bonds (distance) C4'-P energy: -3.155 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -1.122 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: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -20.174594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.174594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.174594 (E_RNA) where: Base-Base interactions energy: 0.054 where: short stacking energy: 0.054 Base-Backbone interact. energy: -0.011 local terms energy: -20.216951 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -19.544136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.544136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.544136 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -19.483973 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -0.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -19.088953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.088953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.088953 (E_RNA) where: Base-Base interactions energy: 0.374 where: short stacking energy: 0.374 Base-Backbone interact. energy: -0.025 local terms energy: -19.437975 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: 1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -22.353231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.353231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.353231 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -22.453228 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -20.946781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.946781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.946781 (E_RNA) where: Base-Base interactions energy: -6.323 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -14.458550 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: 1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -21.989962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.989962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.989962 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -21.957618 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.244 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: 4, replica: 7 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -20.749331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.749331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.749331 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -20.668890 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -20.675482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.675482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.675482 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.673861 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.339 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: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -19.620846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.620846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.620846 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -19.699095 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -21.479991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.479991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.479991 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -21.394029 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -3.651 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: 8, replica: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -21.398035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.398035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.398035 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -21.349971 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -0.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -22.467835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.467835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.467835 (E_RNA) where: Base-Base interactions energy: -7.330 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -15.033351 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -0.928 tors. eta vs tors. theta energy: 1.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -19.756453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.756453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.756453 (E_RNA) where: Base-Base interactions energy: -3.740 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.380 local terms energy: -17.395969 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -3.075 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: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -22.863382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.863382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.863382 (E_RNA) where: Base-Base interactions energy: -6.142 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -16.682401 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -1.333 tors. eta vs tors. theta energy: 0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -20.393793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.393793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.393793 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -20.334914 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: 0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -22.017501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.017501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.017501 (E_RNA) where: Base-Base interactions energy: -4.811 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -17.127272 where: bonds (distance) C4'-P energy: -2.029 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -4.257 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: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -23.028707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.028707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.028707 (E_RNA) where: Base-Base interactions energy: -5.826 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -17.175055 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -3.096 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: 5, replica: 7 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -20.060750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.060750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.060750 (E_RNA) where: Base-Base interactions energy: -4.339 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.280 local terms energy: -15.441517 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -1.246 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: 6, replica: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -21.059432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.059432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.059432 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.059431 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.700 flat angles P-C4'-P energy: -3.865 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: 7, replica: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -19.552553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.552553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.552553 (E_RNA) where: Base-Base interactions energy: -3.848 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -15.592523 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: 2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -19.829330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.829330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.829330 (E_RNA) where: Base-Base interactions energy: 0.033 where: short stacking energy: 0.033 Base-Backbone interact. energy: -0.035 local terms energy: -19.827690 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -2.684 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -18.923202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.923202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.923202 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -18.906222 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -19.515008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.515008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.515008 (E_RNA) where: Base-Base interactions energy: -4.599 where: short stacking energy: 1.111 Base-Backbone interact. energy: -0.156 local terms energy: -14.760225 where: bonds (distance) C4'-P energy: -2.088 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: 2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -20.307852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.307852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.307852 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -20.202379 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -4.208 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: 2, replica: 9 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -23.668232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.668232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.668232 (E_RNA) where: Base-Base interactions energy: -6.532 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -17.116861 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -3.505 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: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -22.003850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.003850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.003850 (E_RNA) where: Base-Base interactions energy: -5.102 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.803742 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -4.342 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: 90 Temperature: 1.050000 Total energy: -21.698552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.698552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.698552 (E_RNA) where: Base-Base interactions energy: -1.183 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.502297 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -20.886994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.886994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.886994 (E_RNA) where: Base-Base interactions energy: 0.246 where: short stacking energy: 0.246 Base-Backbone interact. energy: -0.000 local terms energy: -21.132752 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.159 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: 6, replica: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -19.355959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.355959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.355959 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.171 local terms energy: -19.184913 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: 0.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -20.134628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.134628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.134628 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.128210 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: 0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -18.891785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.891785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.891785 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -18.803165 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -2.684 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -19.548829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.548829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.548829 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -19.518712 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -20.110652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.110652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.110652 (E_RNA) where: Base-Base interactions energy: -1.529 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.193 local terms energy: -18.388393 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -0.182 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: 91 Temperature: 0.900000 Total energy: -22.175945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.175945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.175945 (E_RNA) where: Base-Base interactions energy: -0.922 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.626 local terms energy: -20.627961 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -4.037 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: 2, replica: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -21.864109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.864109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.864109 (E_RNA) where: Base-Base interactions energy: -2.637 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -19.201250 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.690 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: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -21.751213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.751213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.751213 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -21.630409 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -3.656 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: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -21.509905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.509905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.509905 (E_RNA) where: Base-Base interactions energy: -1.086 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.414591 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.774 flat angles P-C4'-P energy: -4.171 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: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -22.107988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.107988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.107988 (E_RNA) where: Base-Base interactions energy: 0.146 where: short stacking energy: 0.146 Base-Backbone interact. energy: -0.000 local terms energy: -22.254357 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -26.288857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.288857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.288857 (E_RNA) where: Base-Base interactions energy: -3.283 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.512 local terms energy: -22.494626 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -18.683792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.683792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.683792 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -18.592339 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -4.022 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: 8, replica: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -18.615007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.615007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.615007 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -18.515540 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -18.880716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.880716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.880716 (E_RNA) where: Base-Base interactions energy: -0.292 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.127 local terms energy: -18.715536 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -1.550 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -19.036680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.036680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.036680 (E_RNA) where: Base-Base interactions energy: -2.559 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -16.425894 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -3.947 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: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -23.893476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.893476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.893476 (E_RNA) where: Base-Base interactions energy: -5.417 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.196 local terms energy: -18.280478 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: 1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -20.915866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.915866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.915866 (E_RNA) where: Base-Base interactions energy: -4.622 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.132 local terms energy: -16.161020 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: 2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -21.288674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.288674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.288674 (E_RNA) where: Base-Base interactions energy: -0.824 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -20.406854 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.645 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: 4, replica: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -21.869490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.869490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.869490 (E_RNA) where: Base-Base interactions energy: -6.249 where: short stacking energy: 0.234 Base-Backbone interact. energy: -0.065 local terms energy: -15.556368 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -1.816 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -0.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -22.200504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.200504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.200504 (E_RNA) where: Base-Base interactions energy: 0.253 where: short stacking energy: 0.253 Base-Backbone interact. energy: -0.000 local terms energy: -22.452663 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -3.507 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: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -19.281285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.281285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.281285 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.251 local terms energy: -19.030023 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -4.408 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: 8 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -21.569802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.569802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.569802 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -21.553039 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -21.321892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.321892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.321892 (E_RNA) where: Base-Base interactions energy: -4.013 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.195 local terms energy: -17.113830 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: 0.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -19.324465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.324465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.324465 (E_RNA) where: Base-Base interactions energy: -1.329 where: short stacking energy: 0.622 Base-Backbone interact. energy: -0.094 local terms energy: -17.901142 where: bonds (distance) C4'-P energy: -3.674 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: 1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -20.743112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.743112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.743112 (E_RNA) where: Base-Base interactions energy: 0.262 where: short stacking energy: 0.262 Base-Backbone interact. energy: -0.003 local terms energy: -21.002108 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -3.986 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -22.768681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.768681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.768681 (E_RNA) where: Base-Base interactions energy: -1.904 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.863848 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -2.746 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: 2, replica: 1 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -21.989184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.989184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.989184 (E_RNA) where: Base-Base interactions energy: -0.627 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -21.324728 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -20.738549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.738549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.738549 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.875 local terms energy: -19.863466 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -3.507 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: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -20.892676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.892676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.892676 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.889967 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -19.287057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.287057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.287057 (E_RNA) where: Base-Base interactions energy: -2.232 where: short stacking energy: 0.033 Base-Backbone interact. energy: -0.001 local terms energy: -17.054232 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -2.728 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: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -20.890764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.890764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.890764 (E_RNA) where: Base-Base interactions energy: -1.779 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.099813 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: 0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -20.429312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.429312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.429312 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.422383 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -19.049693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.049693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.049693 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -19.149481 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -4.386 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: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -18.564815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.564815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.564815 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -18.490147 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -18.280376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.280376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.280376 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.280354 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -22.403598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.403598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.403598 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -22.304004 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -21.922378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.922378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.922378 (E_RNA) where: Base-Base interactions energy: -4.190 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -17.652222 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.627 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: 3, replica: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -21.424336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.424336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.424336 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.424304 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -20.288813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.288813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.288813 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.477555 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.221 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: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -19.998541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.998541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.998541 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -19.960479 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -3.643 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: 9 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -19.677649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.677649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.677649 (E_RNA) where: Base-Base interactions energy: -0.932 where: short stacking energy: 0.105 Base-Backbone interact. energy: -0.371 local terms energy: -18.374515 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.414 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -2.567 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -20.011559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.011559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.011559 (E_RNA) where: Base-Base interactions energy: -0.938 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.058454 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: 0.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -18.290415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.290415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.290415 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.723 local terms energy: -19.013275 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -18.511793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.511793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.511793 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.511013 where: bonds (distance) C4'-P energy: -2.431 bonds (distance) P-C4' energy: -4.574 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.775 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: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -19.421703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.421703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.421703 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -19.406161 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: 0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -22.114631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.114631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.114631 (E_RNA) where: Base-Base interactions energy: -4.543 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -17.477098 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: 0.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -23.918385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.918385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.918385 (E_RNA) where: Base-Base interactions energy: -3.920 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.988395 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -3.659 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: 3, replica: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -20.800104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.800104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.800104 (E_RNA) where: Base-Base interactions energy: -5.222 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -15.577071 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -2.922 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: 4, replica: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -19.794054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.794054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.794054 (E_RNA) where: Base-Base interactions energy: 0.279 where: short stacking energy: 0.340 Base-Backbone interact. energy: -0.000 local terms energy: -20.072983 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -4.436 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: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -21.517240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.517240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.517240 (E_RNA) where: Base-Base interactions energy: -2.270 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -19.126158 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: 0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -19.374200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.374200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.374200 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.372005 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: 1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -18.912772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.912772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.912772 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -18.771174 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: 1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -22.524654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.524654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.524654 (E_RNA) where: Base-Base interactions energy: -5.587 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.166 local terms energy: -16.771523 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -2.475 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: 9, replica: 6 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -20.058532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.058532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.058532 (E_RNA) where: Base-Base interactions energy: -1.769 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -18.232488 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -20.317448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.317448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.317448 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.314684 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -4.263 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: 2 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -21.191691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.191691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.191691 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.242 local terms energy: -20.949508 where: bonds (distance) C4'-P energy: -4.811 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -4.406 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: 2, replica: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -22.724863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.724863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.724863 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.724715 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -2.746 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: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -21.805004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.805004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.805004 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.804755 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -3.703 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: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -21.447043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.447043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.447043 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -21.350589 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.338 flat angles P-C4'-P energy: -4.398 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: 5, replica: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -19.711517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.711517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.711517 (E_RNA) where: Base-Base interactions energy: -4.589 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.271 local terms energy: -14.851084 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -3.249 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: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -20.159254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.159254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.159254 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.559 local terms energy: -19.600339 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -19.688628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.688628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.688628 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.685152 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -19.010748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.010748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.010748 (E_RNA) where: Base-Base interactions energy: -2.090 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -16.833474 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: 2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -19.152014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.152014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.152014 (E_RNA) where: Base-Base interactions energy: 0.056 where: short stacking energy: 0.056 Base-Backbone interact. energy: -0.000 local terms energy: -19.208249 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -20.002897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.002897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.002897 (E_RNA) where: Base-Base interactions energy: -4.880 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -15.060707 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.670 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: 1, replica: 2 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -21.400094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.400094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.400094 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.396126 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -21.209733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.209733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.209733 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -21.200366 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: 0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -21.732177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.732177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.732177 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.732176 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -21.674290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.674290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.674290 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.413 local terms energy: -21.261296 where: bonds (distance) C4'-P energy: -2.339 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -22.699006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.699006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.699006 (E_RNA) where: Base-Base interactions energy: -3.565 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -19.093185 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.946 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: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -21.165149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.165149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.165149 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.163709 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -19.774885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.774885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.774885 (E_RNA) where: Base-Base interactions energy: -1.275 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.497624 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -4.634 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: 8, replica: 7 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -19.916234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.916234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.916234 (E_RNA) where: Base-Base interactions energy: -4.148 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -15.716601 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -3.741 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.093 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: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -19.221608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.221608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.221608 (E_RNA) where: Base-Base interactions energy: 1.000 where: short stacking energy: 1.000 Base-Backbone interact. energy: -0.017 local terms energy: -20.204234 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -19.688884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.688884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.688884 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.304 local terms energy: -19.385375 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -21.637992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.637992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.637992 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.412 local terms energy: -20.226295 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -2.921 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: 2, replica: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -23.886774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.886774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.886774 (E_RNA) where: Base-Base interactions energy: -4.326 where: short stacking energy: 0.150 Base-Backbone interact. energy: -0.028 local terms energy: -19.532643 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -22.022688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.022688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.022688 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -22.009794 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -2.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -21.876065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.876065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.876065 (E_RNA) where: Base-Base interactions energy: -4.330 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -17.495444 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -4.038 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: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -22.277995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.277995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.277995 (E_RNA) where: Base-Base interactions energy: -1.493 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.908 local terms energy: -19.877288 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -21.358427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.358427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.358427 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -21.342628 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -19.574809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.574809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.574809 (E_RNA) where: Base-Base interactions energy: -2.573 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.134 local terms energy: -16.867582 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -4.420 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: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -19.827524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.827524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.827524 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.827522 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -2.167 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: 9, replica: 6 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -19.317128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.317128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.317128 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.308976 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -4.626 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: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -20.039958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.039958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.039958 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.037938 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -21.606679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.606679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.606679 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.606553 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -22.591598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.591598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.591598 (E_RNA) where: Base-Base interactions energy: -5.665 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -16.773307 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -3.775 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: 3, replica: 2 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -21.546719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.546719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.546719 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.546714 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -1.866 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: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -21.761391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.761391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.761391 (E_RNA) where: Base-Base interactions energy: -3.880 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -17.777108 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: 0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -20.202516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.202516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.202516 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.174048 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -20.456067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.456067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.456067 (E_RNA) where: Base-Base interactions energy: -2.142 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -18.213327 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -2.947 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: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -22.907374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.907374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.907374 (E_RNA) where: Base-Base interactions energy: -6.939 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.129 local terms energy: -15.839081 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.514 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: 99 Temperature: 1.250000 Total energy: -20.007990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.007990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.007990 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.002012 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -19.651076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.651076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.651076 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.651063 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -18.952843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.952843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.952843 (E_RNA) where: Base-Base interactions energy: 0.067 where: short stacking energy: 0.067 Base-Backbone interact. energy: -0.102 local terms energy: -18.918020 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -4.180 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: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -24.134584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.134584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.134584 (E_RNA) where: Base-Base interactions energy: -2.751 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.377680 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -20.777620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.777620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.777620 (E_RNA) where: Base-Base interactions energy: 0.680 where: short stacking energy: 0.680 Base-Backbone interact. energy: -0.000 local terms energy: -21.457657 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -2.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -20.453317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.453317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.453317 (E_RNA) where: Base-Base interactions energy: 0.800 where: short stacking energy: 0.800 Base-Backbone interact. energy: -0.073 local terms energy: -21.180086 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -20.666697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.666697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.666697 (E_RNA) where: Base-Base interactions energy: -2.950 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.714387 where: bonds (distance) C4'-P energy: -3.884 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -3.339 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: 5, replica: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -21.386757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.386757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.386757 (E_RNA) where: Base-Base interactions energy: -2.448 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.194 local terms energy: -18.745111 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -20.180628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.180628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.180628 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.179488 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.244 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.075 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: 7, replica: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -20.253833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.253833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.253833 (E_RNA) where: Base-Base interactions energy: -4.694 where: short stacking energy: 0.004 Base-Backbone interact. energy: -0.091 local terms energy: -15.468464 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.515 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: 1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -20.905829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.905829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.905829 (E_RNA) where: Base-Base interactions energy: 0.435 where: short stacking energy: 0.435 Base-Backbone interact. energy: -0.079 local terms energy: -21.261393 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -19.369823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.369823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.369823 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -19.340070 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.602 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -18.991799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.991799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.991799 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.991711 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -2.660 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: 1, replica: 4 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -23.362365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.362365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.362365 (E_RNA) where: Base-Base interactions energy: -5.109 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -18.208876 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: 1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -20.899508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.899508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.899508 (E_RNA) where: Base-Base interactions energy: -1.362 where: short stacking energy: 0.172 Base-Backbone interact. energy: -0.001 local terms energy: -19.536380 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -21.213624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.213624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.213624 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.213610 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -22.901020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.901020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.901020 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.900956 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -20.150976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.150976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.150976 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -20.055690 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -21.509220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.509220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.509220 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.508772 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -21.568048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.568048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.568048 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.568047 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.607 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: 7 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -22.362760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.362760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.362760 (E_RNA) where: Base-Base interactions energy: -4.462 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -17.885793 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.000 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -19.609272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.609272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.609272 (E_RNA) where: Base-Base interactions energy: -1.567 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -18.032809 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -1.993 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -20.127974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.127974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.127974 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.123882 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -27.259347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.259347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.259347 (E_RNA) where: Base-Base interactions energy: -7.859 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -19.371306 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -20.433547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.433547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.433547 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.020 local terms energy: -20.814034 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -20.503413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.503413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.503413 (E_RNA) where: Base-Base interactions energy: -3.370 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.269 local terms energy: -16.864933 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: 1.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -21.315063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.315063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.315063 (E_RNA) where: Base-Base interactions energy: -5.209 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -15.969055 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.824 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: 0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -21.865594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.865594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.865594 (E_RNA) where: Base-Base interactions energy: -4.230 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -17.589327 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.723 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -21.919172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.919172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.919172 (E_RNA) where: Base-Base interactions energy: -5.466 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -16.422114 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: 0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -19.192163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.192163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.192163 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.150 local terms energy: -19.042089 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: 0.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -19.434392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.434392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.434392 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.285 local terms energy: -19.149510 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.501 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: 5 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -20.453660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.453660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.453660 (E_RNA) where: Base-Base interactions energy: -1.645 where: short stacking energy: 0.067 Base-Backbone interact. energy: 0.765 local terms energy: -19.573583 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -2.672 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: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -18.858077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.858077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.858077 (E_RNA) where: Base-Base interactions energy: -1.395 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -17.337970 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: 1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -20.557606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.557606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.557606 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -20.521269 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: 0.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -23.036516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.036516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.036516 (E_RNA) where: Base-Base interactions energy: -2.783 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -20.201427 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -4.610 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: 3, replica: 2 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -21.804238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.804238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.804238 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.803990 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -23.238586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.238586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.238586 (E_RNA) where: Base-Base interactions energy: -1.950 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -21.208574 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -1.825 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -19.039831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.039831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.039831 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.038295 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: 0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -19.164429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.164429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.164429 (E_RNA) where: Base-Base interactions energy: -1.400 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -17.757707 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -4.306 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: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -19.408546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.408546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.408546 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.197 local terms energy: -19.211159 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -1.678 tors. eta vs tors. theta energy: -1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -18.681890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.681890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.681890 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -18.615355 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -2.832 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: 103 Temperature: 1.300000 Total energy: -21.230409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.230409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.230409 (E_RNA) where: Base-Base interactions energy: -0.720 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.181 local terms energy: -19.329340 where: bonds (distance) C4'-P energy: -3.421 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -18.175669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.175669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.175669 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -18.082001 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.439 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -1.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -23.102171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.102171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.102171 (E_RNA) where: Base-Base interactions energy: -5.673 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -17.414168 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.780 flat angles P-C4'-P energy: -4.384 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: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -20.430372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.430372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.430372 (E_RNA) where: Base-Base interactions energy: -0.007 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.403145 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -0.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -21.408094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.408094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.408094 (E_RNA) where: Base-Base interactions energy: -0.731 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.676439 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -0.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -22.163038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.163038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.163038 (E_RNA) where: Base-Base interactions energy: -3.204 where: short stacking energy: 0.942 Base-Backbone interact. energy: -0.000 local terms energy: -18.958336 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -21.231397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.231397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.231397 (E_RNA) where: Base-Base interactions energy: -0.246 where: short stacking energy: 0.573 Base-Backbone interact. energy: -0.016 local terms energy: -20.969431 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.032 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -22.864025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.864025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.864025 (E_RNA) where: Base-Base interactions energy: -5.471 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -17.265087 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: 2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -20.923158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.923158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.923158 (E_RNA) where: Base-Base interactions energy: -5.201 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -15.623331 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: 1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -19.755273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.755273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.755273 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.755267 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -3.634 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: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -22.334761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.334761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.334761 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.334761 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -20.208677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.208677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.208677 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.056 local terms energy: -19.153046 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -4.675 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: 1, replica: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -21.841611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.841611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.841611 (E_RNA) where: Base-Base interactions energy: -5.281 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -16.485437 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -4.210 flat angles C4'-P-C4' energy: -3.561 flat angles P-C4'-P energy: -4.140 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: 2, replica: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -21.506577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.506577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.506577 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -21.806573 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.530 flat angles P-C4'-P energy: -4.030 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: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -21.521646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.521646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.521646 (E_RNA) where: Base-Base interactions energy: -6.997 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -14.521949 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -2.281 flat angles P-C4'-P energy: -3.573 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: 4, replica: 10 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -21.684129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.684129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.684129 (E_RNA) where: Base-Base interactions energy: -2.497 where: short stacking energy: 1.100 Base-Backbone interact. energy: -0.599 local terms energy: -18.588357 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.733 flat angles P-C4'-P energy: -3.305 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: 5, replica: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -20.409667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.409667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.409667 (E_RNA) where: Base-Base interactions energy: 0.259 where: short stacking energy: 0.259 Base-Backbone interact. energy: -0.020 local terms energy: -20.648621 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -2.782 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -19.743740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.743740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.743740 (E_RNA) where: Base-Base interactions energy: 0.408 where: short stacking energy: 0.408 Base-Backbone interact. energy: -0.008 local terms energy: -20.144048 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: 0.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -20.227563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.227563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.227563 (E_RNA) where: Base-Base interactions energy: -2.551 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -17.525313 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -1.623 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -20.462562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.462562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.462562 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.456246 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -2.884 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: 9, replica: 5 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -19.099290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.099290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.099290 (E_RNA) where: Base-Base interactions energy: 0.126 where: short stacking energy: 0.126 Base-Backbone interact. energy: -0.001 local terms energy: -19.223739 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.541 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -19.361851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.361851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.361851 (E_RNA) where: Base-Base interactions energy: 0.021 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.060 local terms energy: -18.323634 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: 0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -20.606624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.606624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.606624 (E_RNA) where: Base-Base interactions energy: -4.061 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -16.485185 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: 2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -20.747022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.747022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.747022 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.747011 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -21.629720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.629720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.629720 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.022 local terms energy: -21.651425 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -2.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -20.822611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.822611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.822611 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.816418 where: bonds (distance) C4'-P energy: -4.145 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -20.754215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.754215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.754215 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -21.054111 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -2.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -21.609988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.609988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.609988 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -21.502991 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -19.217163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.217163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.217163 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.216458 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -2.095 tors. eta vs tors. theta energy: -1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -20.311899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.311899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.311899 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.311883 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -18.515378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.515378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.515378 (E_RNA) where: Base-Base interactions energy: -0.616 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.898 local terms energy: -17.000820 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: 1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -20.535919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.535919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.535919 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -20.465682 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -4.076 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: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -22.748573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.748573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.748573 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.399 local terms energy: -21.349579 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.505 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: 2, replica: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -23.493153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.493153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.493153 (E_RNA) where: Base-Base interactions energy: -5.622 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -17.864944 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.189 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -21.769573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.769573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.769573 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.769514 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -4.420 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: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -22.006305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.006305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.006305 (E_RNA) where: Base-Base interactions energy: -1.265 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -20.653586 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -21.570200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.570200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.570200 (E_RNA) where: Base-Base interactions energy: -2.899 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -18.640427 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -18.802257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.802257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.802257 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.802166 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -2.910 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: 0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -20.015862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.015862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.015862 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.015664 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.827 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -20.180843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.180843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.180843 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.179195 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -24.008421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.008421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.008421 (E_RNA) where: Base-Base interactions energy: -5.610 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.169 local terms energy: -18.229948 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: 0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -19.079175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.079175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.079175 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.079173 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: 0.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -22.275004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.275004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.275004 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -22.207160 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -22.461689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.461689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.461689 (E_RNA) where: Base-Base interactions energy: -1.033 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.422673 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -3.112 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: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -21.385590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.385590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.385590 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -21.371886 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -21.821413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.821413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.821413 (E_RNA) where: Base-Base interactions energy: -4.419 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -17.397133 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -3.047 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: 5, replica: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -20.619241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.619241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.619241 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.619170 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -21.473516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.473516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.473516 (E_RNA) where: Base-Base interactions energy: -3.552 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -17.831520 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: 0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -19.136166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.136166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.136166 (E_RNA) where: Base-Base interactions energy: -5.009 where: short stacking energy: 0.256 Base-Backbone interact. energy: -0.042 local terms energy: -14.085029 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -2.874 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: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -19.056609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.056609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.056609 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.053570 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: 0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -22.664094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.664094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.664094 (E_RNA) where: Base-Base interactions energy: 0.338 where: short stacking energy: 0.338 Base-Backbone interact. energy: -0.219 local terms energy: -22.782472 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -3.344 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: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -18.768343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.768343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.768343 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.768143 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -3.728 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: 1, replica: 10 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -22.952197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.952197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.952197 (E_RNA) where: Base-Base interactions energy: 0.206 where: short stacking energy: 0.206 Base-Backbone interact. energy: -0.022 local terms energy: -23.135757 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -2.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -22.404400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.404400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.404400 (E_RNA) where: Base-Base interactions energy: -1.210 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.194278 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.618 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: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -21.605087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.605087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.605087 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.599196 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -23.100835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.100835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.100835 (E_RNA) where: Base-Base interactions energy: -5.870 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -17.139883 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -1.900 tors. eta vs tors. theta energy: 1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -21.724887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.724887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.724887 (E_RNA) where: Base-Base interactions energy: -4.917 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.210 local terms energy: -16.598271 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: 2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -19.369758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.369758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.369758 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.369709 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -19.343770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.343770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.343770 (E_RNA) where: Base-Base interactions energy: -2.641 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -16.694612 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -2.296 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -19.116883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.116883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.116883 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.116866 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: 0.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -20.913935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.913935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.913935 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -20.831789 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -1.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -17.914557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.914557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.914557 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.914477 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: 0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -20.894762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.894762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.894762 (E_RNA) where: Base-Base interactions energy: -1.086 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -19.771995 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -3.177 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: 2, replica: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -21.900576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.900576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.900576 (E_RNA) where: Base-Base interactions energy: -4.169 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -17.594500 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: 1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -25.136679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.136679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.136679 (E_RNA) where: Base-Base interactions energy: -8.797 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.220 local terms energy: -16.119375 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -3.091 flat angles P-C4'-P energy: -4.697 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: 4, replica: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -20.676441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.676441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.676441 (E_RNA) where: Base-Base interactions energy: 0.005 where: short stacking energy: 0.005 Base-Backbone interact. energy: -0.000 local terms energy: -20.681256 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.521 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -20.694588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.694588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.694588 (E_RNA) where: Base-Base interactions energy: 0.386 where: short stacking energy: 0.386 Base-Backbone interact. energy: -0.000 local terms energy: -21.081038 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -1.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -19.204936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.204936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.204936 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -19.143225 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: 0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -21.612232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.612232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.612232 (E_RNA) where: Base-Base interactions energy: -5.340 where: short stacking energy: 0.391 Base-Backbone interact. energy: -0.073 local terms energy: -16.199039 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -1.339 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: 8, replica: 3 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -19.065729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.065729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.065729 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -18.976042 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -1.408 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -18.668317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.668317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.668317 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -18.556135 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -2.594 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: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -18.553445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.553445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.553445 (E_RNA) where: Base-Base interactions energy: -4.984 where: short stacking energy: 0.004 Base-Backbone interact. energy: -0.144 local terms energy: -13.425884 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.507 flat angles P-C4'-P energy: -2.345 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: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -21.077346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.077346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.077346 (E_RNA) where: Base-Base interactions energy: -2.226 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.194 local terms energy: -17.656686 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -3.790 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: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -21.452236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.452236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.452236 (E_RNA) where: Base-Base interactions energy: -2.180 where: short stacking energy: 0.254 Base-Backbone interact. energy: -0.098 local terms energy: -19.174021 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: 0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -21.083684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.083684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.083684 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.082530 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -23.806973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.806973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.806973 (E_RNA) where: Base-Base interactions energy: -7.398 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -16.402894 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: 2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -21.312932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.312932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.312932 (E_RNA) where: Base-Base interactions energy: -1.222 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -20.017536 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -2.848 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: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -21.325437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.325437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.325437 (E_RNA) where: Base-Base interactions energy: -3.890 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.134 local terms energy: -17.301090 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -3.323 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: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -21.773576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.773576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.773576 (E_RNA) where: Base-Base interactions energy: -4.925 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -16.817004 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: 0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -19.517875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.517875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.517875 (E_RNA) where: Base-Base interactions energy: -5.315 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -14.161610 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -1.580 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: 0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -19.432588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.432588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.432588 (E_RNA) where: Base-Base interactions energy: 0.162 where: short stacking energy: 0.162 Base-Backbone interact. energy: -0.000 local terms energy: -19.594466 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -18.349616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.349616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.349616 (E_RNA) where: Base-Base interactions energy: -0.099 where: short stacking energy: 0.043 Base-Backbone interact. energy: -0.025 local terms energy: -18.226280 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -2.877 flat angles P-C4'-P energy: -4.140 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: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -20.338804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.338804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.338804 (E_RNA) where: Base-Base interactions energy: -2.362 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.188 local terms energy: -17.789523 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.087 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: 2, replica: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -21.562074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.562074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.562074 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.562043 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -22.038615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.038615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.038615 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.038313 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -21.317366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.317366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.317366 (E_RNA) where: Base-Base interactions energy: -3.854 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.164 local terms energy: -17.299330 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -2.559 tors. eta vs tors. theta energy: 1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -19.274010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.274010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.274010 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.273745 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -22.077712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.077712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.077712 (E_RNA) where: Base-Base interactions energy: -5.924 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -16.059625 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.771 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: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -20.202778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.202778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.202778 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -20.106849 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.581 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: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -20.201373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.201373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.201373 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.190657 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -20.080311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.080311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.080311 (E_RNA) where: Base-Base interactions energy: -0.665 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.292 local terms energy: -19.124050 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.511 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -19.923696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.923696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.923696 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.923523 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.869 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: 1, replica: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -22.952816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.952816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.952816 (E_RNA) where: Base-Base interactions energy: -5.353 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -17.579900 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -2.640 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -21.881349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.881349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.881349 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.880465 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.106 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: 113 Temperature: 1.000000 Total energy: -21.883763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.883763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.883763 (E_RNA) where: Base-Base interactions energy: -4.011 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.403 local terms energy: -17.469500 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.174 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -20.978329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.978329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.978329 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.978171 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -21.751673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.751673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.751673 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -21.720001 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.188 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: 6, replica: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -19.561871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.561871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.561871 (E_RNA) where: Base-Base interactions energy: -2.371 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -17.099149 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: 3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -19.440516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.440516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.440516 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -19.325924 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -3.189 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: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -19.005507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.005507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.005507 (E_RNA) where: Base-Base interactions energy: -3.881 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -15.051437 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -1.482 flat angles P-C4'-P energy: -4.487 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: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -19.233917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.233917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.233917 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.233901 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: 0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -19.434484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.434484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.434484 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.702 local terms energy: -18.732461 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -23.880247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.880247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.880247 (E_RNA) where: Base-Base interactions energy: 0.034 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.086 local terms energy: -23.828179 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.651 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: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -22.228627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.228627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.228627 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -22.176099 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.660 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: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -20.258166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.258166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.258166 (E_RNA) where: Base-Base interactions energy: -0.704 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -19.462464 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.976 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: 4, replica: 7 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -20.943377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.943377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.943377 (E_RNA) where: Base-Base interactions energy: -1.757 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.185944 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: 0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -22.210500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.210500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.210500 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.208621 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -22.639501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.639501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.639501 (E_RNA) where: Base-Base interactions energy: -5.226 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.602 local terms energy: -16.811204 where: bonds (distance) C4'-P energy: -4.625 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -1.724 tors. eta vs tors. theta energy: 0.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -18.071075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.071075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.071075 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -18.009388 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -20.157842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.157842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.157842 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.143260 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.345 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: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -19.223298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.223298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.223298 (E_RNA) where: Base-Base interactions energy: 0.127 where: short stacking energy: 0.127 Base-Backbone interact. energy: -0.000 local terms energy: -19.350360 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -3.903 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: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -20.629098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.629098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.629098 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -20.531965 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.756 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: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -22.834670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.834670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.834670 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -22.739560 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -20.218786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.218786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.218786 (E_RNA) where: Base-Base interactions energy: -2.842 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.493 local terms energy: -16.883772 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.838 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: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -22.335966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.335966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.335966 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.335940 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -4.286 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: 4, replica: 8 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -21.654766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.654766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.654766 (E_RNA) where: Base-Base interactions energy: -3.473 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -18.089755 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: 1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -19.964107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.964107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.964107 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.961221 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -0.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -19.425321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.425321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.425321 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.425282 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: 0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -19.939492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.939492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.939492 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.939450 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -2.174 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: 3 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -19.193252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.193252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.193252 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -19.149049 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: 0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -19.530597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.530597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.530597 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.529839 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: 0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -19.761264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.761264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.761264 (E_RNA) where: Base-Base interactions energy: -3.676 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.300 local terms energy: -15.785550 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -1.480 tors. eta vs tors. theta energy: 1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -21.835464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.835464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.835464 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.835382 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.226 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: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -21.455021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.455021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.455021 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.450670 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -3.225 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: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -22.722378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.722378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.722378 (E_RNA) where: Base-Base interactions energy: -3.966 where: short stacking energy: 0.007 Base-Backbone interact. energy: -0.138 local terms energy: -18.618557 where: bonds (distance) C4'-P energy: -4.580 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -20.478921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.478921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.478921 (E_RNA) where: Base-Base interactions energy: -2.167 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.494 local terms energy: -17.818433 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -20.190848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.190848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.190848 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.187073 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -2.244 tors. eta vs tors. theta energy: -1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -21.003505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.003505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.003505 (E_RNA) where: Base-Base interactions energy: -4.371 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -16.632425 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: 0.184 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: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -18.480497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.480497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.480497 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.480153 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: 0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -18.870322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.870322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.870322 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.870302 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -19.340371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.340371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.340371 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.340352 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -4.524 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: 10, replica: 6 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -18.667251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.667251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.667251 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -18.618266 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: 1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -22.267044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.267044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.267044 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -22.227370 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -3.778 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: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -20.789568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.789568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.789568 (E_RNA) where: Base-Base interactions energy: -3.963 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -16.750075 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -3.471 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: 3, replica: 1 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -21.708113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.708113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.708113 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.708068 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -4.026 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: 117 Temperature: 1.050000 Total energy: -21.522053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.522053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.522053 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.521355 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: -3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -20.426620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.426620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.426620 (E_RNA) where: Base-Base interactions energy: -2.937 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.193 local terms energy: -17.297081 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -4.160 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: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -20.494767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.494767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.494767 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -20.411724 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -20.238248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.238248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.238248 (E_RNA) where: Base-Base interactions energy: 0.245 where: short stacking energy: 0.245 Base-Backbone interact. energy: -0.057 local terms energy: -20.425966 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -0.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -20.018640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.018640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.018640 (E_RNA) where: Base-Base interactions energy: 0.072 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.586 local terms energy: -19.505422 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.766 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: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -18.368694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.368694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.368694 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -18.293248 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: 1.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -21.666194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.666194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.666194 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -21.570121 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -21.938546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.938546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.938546 (E_RNA) where: Base-Base interactions energy: -3.369 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.720 local terms energy: -19.290069 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -20.571363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.571363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.571363 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.571362 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -0.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -21.953416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.953416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.953416 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -21.917837 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -20.629950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.629950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.629950 (E_RNA) where: Base-Base interactions energy: -1.358 where: short stacking energy: 0.067 Base-Backbone interact. energy: -0.032 local terms energy: -19.240056 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -20.547481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.547481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.547481 (E_RNA) where: Base-Base interactions energy: 0.009 where: short stacking energy: 0.009 Base-Backbone interact. energy: -0.002 local terms energy: -20.554194 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -4.293 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: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -20.460683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.460683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.460683 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.460539 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -2.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -20.574401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.574401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.574401 (E_RNA) where: Base-Base interactions energy: -2.640 where: short stacking energy: 0.260 Base-Backbone interact. energy: -0.175 local terms energy: -17.759152 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -18.367349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.367349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.367349 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -18.349829 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -3.175 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: 9, replica: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -18.527976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.527976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.527976 (E_RNA) where: Base-Base interactions energy: -4.013 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.330 local terms energy: -13.185135 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.053 flat angles P-C4'-P energy: -2.446 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: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -22.826878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.826878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.826878 (E_RNA) where: Base-Base interactions energy: -6.033 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -16.787565 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -4.269 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: 1, replica: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -22.363337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.363337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.363337 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.363236 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.315 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: 2, replica: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -21.746185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.746185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.746185 (E_RNA) where: Base-Base interactions energy: -3.266 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -18.300386 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.532 flat angles P-C4'-P energy: -4.048 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: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -22.065081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.065081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.065081 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -22.020018 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -23.273396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.273396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.273396 (E_RNA) where: Base-Base interactions energy: -0.998 where: short stacking energy: 0.188 Base-Backbone interact. energy: -0.000 local terms energy: -22.275076 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -4.760 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: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -21.124008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.124008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.124008 (E_RNA) where: Base-Base interactions energy: -4.492 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -16.547736 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.332 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: 1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -20.892517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.892517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.892517 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.892512 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -1.876 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -19.799072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.799072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.799072 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -19.788003 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: 0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -19.446397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.446397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.446397 (E_RNA) where: Base-Base interactions energy: -1.744 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -17.656092 where: bonds (distance) C4'-P energy: -2.890 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -4.091 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: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -21.361385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.361385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.361385 (E_RNA) where: Base-Base interactions energy: -0.374 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.985014 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -2.889 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: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -19.467792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.467792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.467792 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.467379 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: 0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -23.072576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.072576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.072576 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -23.066949 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -22.443796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.443796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.443796 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.000 local terms energy: -22.943794 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -21.435994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.435994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.435994 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.435898 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.530 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: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -19.661009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.661009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.661009 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.657909 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -2.368 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -20.919706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.919706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.919706 (E_RNA) where: Base-Base interactions energy: 0.924 where: short stacking energy: 0.924 Base-Backbone interact. energy: -0.000 local terms energy: -21.843865 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.491 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: 6, replica: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -20.915980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.915980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.915980 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.518 local terms energy: -20.398262 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.860 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -2.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -21.605234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.605234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.605234 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.604985 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -21.276515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.276515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.276515 (E_RNA) where: Base-Base interactions energy: -1.964 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.310646 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -2.412 tors. eta vs tors. theta energy: -1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -20.997900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.997900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.997900 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -20.916468 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -20.317999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.317999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.317999 (E_RNA) where: Base-Base interactions energy: -3.148 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -17.150169 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -3.295 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: 9 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -22.674105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.674105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.674105 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.674091 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.511 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -21.191645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.191645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.191645 (E_RNA) where: Base-Base interactions energy: -0.901 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -20.222213 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.379 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: 3, replica: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -22.169754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.169754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.169754 (E_RNA) where: Base-Base interactions energy: -1.317 where: short stacking energy: 0.593 Base-Backbone interact. energy: -0.013 local terms energy: -20.839801 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -23.824988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.824988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.824988 (E_RNA) where: Base-Base interactions energy: -5.456 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.268842 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: 1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -19.968121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.968121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.968121 (E_RNA) where: Base-Base interactions energy: -0.280 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.644 local terms energy: -19.044846 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: 0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -21.023967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.023967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.023967 (E_RNA) where: Base-Base interactions energy: -4.158 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.130 local terms energy: -16.736335 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.242 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -19.188348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.188348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.188348 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.184044 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -20.642522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.642522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.642522 (E_RNA) where: Base-Base interactions energy: 0.415 where: short stacking energy: 0.415 Base-Backbone interact. energy: -0.001 local terms energy: -21.055935 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -3.421 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: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -21.627594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.627594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.627594 (E_RNA) where: Base-Base interactions energy: -3.701 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.050 local terms energy: -16.876677 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: 0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -19.682218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.682218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.682218 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -19.610158 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -3.111 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: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -22.428850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.428850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.428850 (E_RNA) where: Base-Base interactions energy: -1.104 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.324510 where: bonds (distance) C4'-P energy: -4.294 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -3.570 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: 2, replica: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -21.714043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.714043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.714043 (E_RNA) where: Base-Base interactions energy: -5.023 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -16.564262 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: -3.620 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: 3, replica: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -23.625476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.625476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.625476 (E_RNA) where: Base-Base interactions energy: -1.847 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.054 local terms energy: -20.725072 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -3.768 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -20.784422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.784422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.784422 (E_RNA) where: Base-Base interactions energy: -2.522 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.181 local terms energy: -18.082124 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: 0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -21.195205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.195205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.195205 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.195196 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -18.724119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.724119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.724119 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -18.713449 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.253 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: 7, replica: 10 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -19.992287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.992287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.992287 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.980142 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.740 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: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -19.231467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.231467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.231467 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.231210 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.564 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: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -18.745733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.745733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.745733 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.240 local terms energy: -19.985366 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.109 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: 10, replica: 2 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -19.701891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.701891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.701891 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.700512 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.212 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -22.608554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.608554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.608554 (E_RNA) where: Base-Base interactions energy: -2.064 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.513 local terms energy: -20.031309 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: 1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -19.942807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.942807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.942807 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -19.899529 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -20.798423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.798423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.798423 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.789141 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -21.022272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.022272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.022272 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -21.004412 where: bonds (distance) C4'-P energy: -3.018 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.258 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: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -20.482613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.482613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.482613 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.481795 where: bonds (distance) C4'-P energy: -3.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -20.644394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.644394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.644394 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -20.612552 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.178 flat angles P-C4'-P energy: -4.351 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: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -22.071594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.071594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.071594 (E_RNA) where: Base-Base interactions energy: -6.923 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.395 local terms energy: -15.544052 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: 2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -19.590425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.590425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.590425 (E_RNA) where: Base-Base interactions energy: -1.465 where: short stacking energy: 0.297 Base-Backbone interact. energy: -0.029 local terms energy: -18.096416 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: 0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -19.102930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.102930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.102930 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.102897 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -3.603 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: 2 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -21.793505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.793505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.793505 (E_RNA) where: Base-Base interactions energy: -4.383 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.006 local terms energy: -17.404348 where: bonds (distance) C4'-P energy: -2.505 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -2.574 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: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -21.728034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.728034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.728034 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -21.676720 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -4.846 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: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -21.550470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.550470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.550470 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.997 local terms energy: -20.553825 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -2.476 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: 3, replica: 8 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -21.697362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.697362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.697362 (E_RNA) where: Base-Base interactions energy: -6.214 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -15.388511 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: 3.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -21.730320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.730320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.730320 (E_RNA) where: Base-Base interactions energy: -8.113 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.174 local terms energy: -13.790669 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -2.269 flat angles P-C4'-P energy: -2.339 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: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -19.664557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.664557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.664557 (E_RNA) where: Base-Base interactions energy: -1.931 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -17.654424 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -3.634 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: 6 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -20.116964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.116964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.116964 (E_RNA) where: Base-Base interactions energy: -2.995 where: short stacking energy: 1.321 Base-Backbone interact. energy: -0.016 local terms energy: -17.105563 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -1.236 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -21.529890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.529890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.529890 (E_RNA) where: Base-Base interactions energy: -5.590 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -15.911055 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.787 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -2.334 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -19.775714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.775714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.775714 (E_RNA) where: Base-Base interactions energy: 0.693 where: short stacking energy: 0.693 Base-Backbone interact. energy: -0.000 local terms energy: -20.468671 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -19.960299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.960299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.960299 (E_RNA) where: Base-Base interactions energy: -1.578 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -18.307418 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -4.144 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: 10, replica: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -19.134617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.134617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.134617 (E_RNA) where: Base-Base interactions energy: -1.974 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -17.151648 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -21.130716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.130716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.130716 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.126506 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.493 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: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -21.928346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.928346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.928346 (E_RNA) where: Base-Base interactions energy: -4.639 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -17.284819 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.375 flat angles P-C4'-P energy: -4.026 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: 3, replica: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -20.456477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.456477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.456477 (E_RNA) where: Base-Base interactions energy: -2.510 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.194 local terms energy: -17.752675 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.255 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: 1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -20.807249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.807249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.807249 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.708605 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.043 flat angles P-C4'-P energy: -3.214 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: 125 Temperature: 1.100000 Total energy: -20.912511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.912511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.912511 (E_RNA) where: Base-Base interactions energy: -5.374 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -15.447031 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: 2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -18.973556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.973556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.973556 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.207 local terms energy: -18.766799 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -0.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -21.019317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.019317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.019317 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.015967 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.469 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -20.996691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.996691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.996691 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.990749 where: bonds (distance) C4'-P energy: -5.420 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -18.597159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.597159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.597159 (E_RNA) where: Base-Base interactions energy: -3.819 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.400 local terms energy: -14.378202 where: bonds (distance) C4'-P energy: -2.737 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: 1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -18.759872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.759872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.759872 (E_RNA) where: Base-Base interactions energy: -2.007 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -16.697691 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: 2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -21.478760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.478760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.478760 (E_RNA) where: Base-Base interactions energy: -2.329 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.130 local terms energy: -19.019685 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.509 flat angles P-C4'-P energy: -3.466 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: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -20.670426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.670426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.670426 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -20.645468 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -3.898 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: 3, replica: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -21.728386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.728386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.728386 (E_RNA) where: Base-Base interactions energy: -2.069 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -19.551443 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -20.846397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.846397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.846397 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.841528 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -4.330 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: 5, replica: 7 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -18.673978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.673978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.673978 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.673959 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -3.323 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: 6, replica: 9 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -20.939281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.939281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.939281 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.936590 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -19.809755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.809755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.809755 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.808077 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -0.756 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: 8, replica: 6 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -20.963669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.963669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.963669 (E_RNA) where: Base-Base interactions energy: -4.193 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.672481 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -4.116 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: 126 Temperature: 1.300000 Total energy: -19.643597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.643597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.643597 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.087 local terms energy: -19.856497 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.932 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: 10, replica: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -19.603929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.603929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.603929 (E_RNA) where: Base-Base interactions energy: 0.702 where: short stacking energy: 0.702 Base-Backbone interact. energy: -0.192 local terms energy: -20.113438 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -3.514 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: 1, replica: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -23.129537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.129537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.129537 (E_RNA) where: Base-Base interactions energy: -4.168 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -18.914381 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -3.645 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: 2, replica: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -20.818938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.818938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.818938 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.818082 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: 0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -20.778318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.778318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.778318 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.777968 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -20.877076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.877076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.877076 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -20.791191 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -3.198 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: 5, replica: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -20.568722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.568722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.568722 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.566050 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -20.758376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.758376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.758376 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.758142 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.788 flat angles P-C4'-P energy: -3.750 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: 7, replica: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -20.106567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.106567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.106567 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.102872 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -19.078991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.078991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.078991 (E_RNA) where: Base-Base interactions energy: -0.340 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.261 local terms energy: -18.477894 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -2.804 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: 9, replica: 6 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -19.832914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.832914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.832914 (E_RNA) where: Base-Base interactions energy: 0.056 where: short stacking energy: 0.186 Base-Backbone interact. energy: -1.053 local terms energy: -18.836592 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.818 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: 10, replica: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -19.198108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.198108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.198108 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -19.149081 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: 0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -22.011608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.011608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.011608 (E_RNA) where: Base-Base interactions energy: -2.801 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.272 local terms energy: -18.939201 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -4.397 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: 2, replica: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -20.972740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.972740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.972740 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -20.929613 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -2.594 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: 3, replica: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -22.280620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.280620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.280620 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.550 local terms energy: -21.130664 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -20.588800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.588800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.588800 (E_RNA) where: Base-Base interactions energy: -5.635 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -14.870964 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.074 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: 2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -20.403872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.403872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.403872 (E_RNA) where: Base-Base interactions energy: -3.336 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.970086 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: 3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -20.944571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.944571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.944571 (E_RNA) where: Base-Base interactions energy: 1.080 where: short stacking energy: 1.080 Base-Backbone interact. energy: -0.000 local terms energy: -22.024281 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -3.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -19.516476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.516476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.516476 (E_RNA) where: Base-Base interactions energy: -0.059 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.455902 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -0.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -20.915052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.915052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.915052 (E_RNA) where: Base-Base interactions energy: 0.758 where: short stacking energy: 0.058 Base-Backbone interact. energy: -0.000 local terms energy: -21.673415 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -18.987591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.987591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.987591 (E_RNA) where: Base-Base interactions energy: -1.589 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -17.354083 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: 0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -21.252825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.252825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.252825 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -21.190282 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -1.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -23.386638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.386638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.386638 (E_RNA) where: Base-Base interactions energy: -2.207 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.178737 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -2.701 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: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -21.077812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.077812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.077812 (E_RNA) where: Base-Base interactions energy: -1.407 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -19.574773 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -0.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -22.087415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.087415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.087415 (E_RNA) where: Base-Base interactions energy: -6.440 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -15.586913 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.476 flat angles P-C4'-P energy: -4.377 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: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -23.739288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.739288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.739288 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.022 local terms energy: -15.392176 where: bonds (distance) C4'-P energy: -2.613 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.274 flat angles P-C4'-P energy: -2.757 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -21.052407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.052407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.052407 (E_RNA) where: Base-Base interactions energy: -1.147 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.902456 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -19.584855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.584855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.584855 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.582489 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: 1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -20.183787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.183787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.183787 (E_RNA) where: Base-Base interactions energy: -4.749 where: short stacking energy: 0.025 Base-Backbone interact. energy: -0.054 local terms energy: -15.381498 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -1.545 tors. eta vs tors. theta energy: 0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -19.803000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.803000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.803000 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -19.741051 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -2.890 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: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -19.213559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.213559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.213559 (E_RNA) where: Base-Base interactions energy: -2.351 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.511 local terms energy: -16.351632 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: 0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -18.374837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.374837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.374837 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.223 local terms energy: -18.152023 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -22.415264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.415264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.415264 (E_RNA) where: Base-Base interactions energy: -3.174 where: short stacking energy: 0.065 Base-Backbone interact. energy: -0.036 local terms energy: -19.205015 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -2.702 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: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -22.863580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.863580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.863580 (E_RNA) where: Base-Base interactions energy: -7.470 where: short stacking energy: 0.268 Base-Backbone interact. energy: -0.003 local terms energy: -15.390485 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -2.441 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: 3, replica: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -21.744502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.744502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.744502 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.743429 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -20.887171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.887171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.887171 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.883559 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -2.461 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -19.471663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.471663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.471663 (E_RNA) where: Base-Base interactions energy: -3.003 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -16.462674 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -2.782 tors. eta vs tors. theta energy: 0.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -20.057991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.057991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.057991 (E_RNA) where: Base-Base interactions energy: -0.832 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.164 local terms energy: -19.061623 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -3.381 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: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -21.601589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.601589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.601589 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.598218 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -4.091 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: 8, replica: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -20.231356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.231356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.231356 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -20.213155 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -19.146945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.146945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.146945 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.146831 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -3.599 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: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -20.187418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.187418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.187418 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.186725 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -1.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -25.545366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.545366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.545366 (E_RNA) where: Base-Base interactions energy: -5.138 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.120 local terms energy: -20.287546 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -3.755 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: 2, replica: 2 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -21.768065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.768065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.768065 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.764395 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -22.925624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.925624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.925624 (E_RNA) where: Base-Base interactions energy: -1.495 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -21.329891 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -2.226 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: 4, replica: 9 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -20.977978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.977978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.977978 (E_RNA) where: Base-Base interactions energy: 0.424 where: short stacking energy: 0.424 Base-Backbone interact. energy: -0.002 local terms energy: -21.400147 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -4.570 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: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -20.869345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.869345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.869345 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.867333 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -3.995 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: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -19.543380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.543380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.543380 (E_RNA) where: Base-Base interactions energy: -2.550 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -16.983417 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -19.930352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.930352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.930352 (E_RNA) where: Base-Base interactions energy: -2.375 where: short stacking energy: 0.144 Base-Backbone interact. energy: -0.048 local terms energy: -17.506913 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.947 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: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -20.644858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.644858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.644858 (E_RNA) where: Base-Base interactions energy: 0.047 where: short stacking energy: 0.047 Base-Backbone interact. energy: -0.000 local terms energy: -20.692325 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -4.410 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: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -19.989509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.989509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.989509 (E_RNA) where: Base-Base interactions energy: -4.387 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -15.579666 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -3.494 flat angles P-C4'-P energy: -4.484 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: 10, replica: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -18.385317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.385317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.385317 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -18.284048 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -23.019079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.019079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.019079 (E_RNA) where: Base-Base interactions energy: -3.499 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -19.454760 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -4.312 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: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -22.929873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.929873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.929873 (E_RNA) where: Base-Base interactions energy: -2.565 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -20.333586 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -20.080368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.080368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.080368 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.080073 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -4.292 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: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -20.904293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.904293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.904293 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -20.870622 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.385 flat angles P-C4'-P energy: -3.396 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: 5, replica: 5 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -22.263997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.263997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.263997 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.263997 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -2.721 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: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -20.597798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.597798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.597798 (E_RNA) where: Base-Base interactions energy: -4.715 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -15.878216 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -1.961 tors. eta vs tors. theta energy: 0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -19.638392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.638392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.638392 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.621419 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -23.829124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.829124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.829124 (E_RNA) where: Base-Base interactions energy: -5.402 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.415263 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.352 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -20.343063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.343063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.343063 (E_RNA) where: Base-Base interactions energy: -6.202 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.452 local terms energy: -13.688705 where: bonds (distance) C4'-P energy: -3.421 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -1.699 tors. eta vs tors. theta energy: 1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -18.526288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.526288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.526288 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -18.501418 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -20.794260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.794260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.794260 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.794255 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -21.133786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.133786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.133786 (E_RNA) where: Base-Base interactions energy: -4.059 where: short stacking energy: 0.968 Base-Backbone interact. energy: -0.094 local terms energy: -16.981459 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -3.275 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: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -20.871714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.871714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.871714 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.866775 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -4.237 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: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -24.327296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.327296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.327296 (E_RNA) where: Base-Base interactions energy: -4.252 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -20.034550 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -4.568 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: 5, replica: 8 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -23.703264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.703264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.703264 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -23.803262 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -3.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -19.395807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.395807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.395807 (E_RNA) where: Base-Base interactions energy: -1.253 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.041859 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.507 tors. eta vs tors. theta energy: -1.588 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: 3 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -20.105514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.105514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.105514 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.027 local terms energy: -20.178658 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -19.399221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.399221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.399221 (E_RNA) where: Base-Base interactions energy: -6.735 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -12.541956 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -2.065 tors. eta vs tors. theta energy: 3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -18.523567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.523567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.523567 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.516421 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -20.738686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.738686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.738686 (E_RNA) where: Base-Base interactions energy: -3.095 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.643157 where: bonds (distance) C4'-P energy: -2.915 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -2.678 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: 134 Temperature: 0.900000 Total energy: -21.737442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.737442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.737442 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.736641 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -3.359 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: 2, replica: 2 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -21.497775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.497775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.497775 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -21.362082 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.141 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: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -22.380230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.380230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.380230 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.380207 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -3.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -20.924700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.924700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.924700 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.924698 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -20.962075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.962075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.962075 (E_RNA) where: Base-Base interactions energy: -2.590 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -18.250148 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.776 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -19.706233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.706233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.706233 (E_RNA) where: Base-Base interactions energy: 0.600 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.000 local terms energy: -20.306104 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: 0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -20.500703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.500703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.500703 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -20.419404 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -20.016887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.016887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.016887 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.016856 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -2.786 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: 9, replica: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -19.282915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.282915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.282915 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.272960 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -1.121 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: 10, replica: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -23.453111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.453111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.453111 (E_RNA) where: Base-Base interactions energy: -6.060 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -17.321517 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -1.749 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: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -25.536231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.536231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.536231 (E_RNA) where: Base-Base interactions energy: -6.724 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.711613 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -4.591 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: 2, replica: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -22.906800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.906800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.906800 (E_RNA) where: Base-Base interactions energy: -3.705 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.314 local terms energy: -18.887741 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -21.068730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.068730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.068730 (E_RNA) where: Base-Base interactions energy: -0.729 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.339441 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -2.089 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -20.514949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.514949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.514949 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.512717 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -19.889403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.889403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.889403 (E_RNA) where: Base-Base interactions energy: -5.464 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.684 local terms energy: -15.109205 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: 2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -21.705962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.705962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.705962 (E_RNA) where: Base-Base interactions energy: -5.219 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.595 local terms energy: -15.891478 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.195 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: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -21.574292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.574292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.574292 (E_RNA) where: Base-Base interactions energy: -1.888 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.026 local terms energy: -18.660282 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -3.347 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: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -20.449970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.449970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.449970 (E_RNA) where: Base-Base interactions energy: -5.441 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -15.003837 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -2.572 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: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -21.647488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.647488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.647488 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.644158 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -2.870 tors. eta vs tors. theta energy: -2.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -20.138754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.138754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.138754 (E_RNA) where: Base-Base interactions energy: -5.588 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -14.465167 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: 1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -21.484755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.484755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.484755 (E_RNA) where: Base-Base interactions energy: -4.655 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -16.679449 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: 1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -22.458706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.458706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.458706 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.455483 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.753 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: 3, replica: 7 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -21.546342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.546342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.546342 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.542688 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -20.480228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.480228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.480228 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.460362 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -21.162115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.162115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.162115 (E_RNA) where: Base-Base interactions energy: -5.020 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.195 local terms energy: -15.947398 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: 2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -19.770764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.770764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.770764 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -20.193850 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -21.350452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.350452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.350452 (E_RNA) where: Base-Base interactions energy: -2.845 where: short stacking energy: 0.264 Base-Backbone interact. energy: -0.461 local terms energy: -18.044589 where: bonds (distance) C4'-P energy: -1.574 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -19.482357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.482357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.482357 (E_RNA) where: Base-Base interactions energy: -5.055 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -14.301838 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -1.980 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: 1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -17.691135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.691135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.691135 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.132 local terms energy: -17.558878 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: 0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -20.351911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.351911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.351911 (E_RNA) where: Base-Base interactions energy: -5.381 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -14.852636 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -4.683 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: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -22.704401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.704401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.704401 (E_RNA) where: Base-Base interactions energy: -2.520 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.176825 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -3.929 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: 2, replica: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -20.205781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.205781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.205781 (E_RNA) where: Base-Base interactions energy: -1.469 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.310 local terms energy: -19.046533 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -3.338 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: 3, replica: 7 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -21.407636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.407636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.407636 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.407636 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -21.263782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.263782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.263782 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.079 local terms energy: -21.284401 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.512 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: 5, replica: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -21.709548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.709548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.709548 (E_RNA) where: Base-Base interactions energy: 0.408 where: short stacking energy: 0.408 Base-Backbone interact. energy: -0.000 local terms energy: -22.117481 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -19.919866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.919866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.919866 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.896808 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -18.982410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.982410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.982410 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.981419 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -2.263 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: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -18.949545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.949545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.949545 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -18.914958 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -3.699 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: 9, replica: 4 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -20.562095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.562095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.562095 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.911 local terms energy: -19.651124 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -3.402 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -18.697546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.697546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.697546 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -18.627306 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: 0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -22.070319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.070319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.070319 (E_RNA) where: Base-Base interactions energy: -5.349 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -16.689709 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -3.148 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: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -20.875453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.875453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.875453 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.875249 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -21.130267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.130267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.130267 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.001 local terms energy: -21.329450 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -20.711135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.711135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.711135 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.711131 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -22.130178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.130178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.130178 (E_RNA) where: Base-Base interactions energy: -2.351 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.778682 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -3.573 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: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -20.149711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.149711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.149711 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.149693 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -18.513853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.513853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.513853 (E_RNA) where: Base-Base interactions energy: -1.752 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.241 local terms energy: -16.521163 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.349 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: 1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -20.496181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.496181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.496181 (E_RNA) where: Base-Base interactions energy: -2.289 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.204938 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.034 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: 9, replica: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -21.461354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.461354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.461354 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.461332 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.851 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: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -20.484084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.484084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.484084 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -20.460567 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -22.663738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.663738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.663738 (E_RNA) where: Base-Base interactions energy: -5.737 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.188 local terms energy: -16.739158 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -3.860 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: 7 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -22.147482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.147482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.147482 (E_RNA) where: Base-Base interactions energy: -2.688 where: short stacking energy: 0.096 Base-Backbone interact. energy: -0.001 local terms energy: -19.458483 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -2.963 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: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -20.409083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.409083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.409083 (E_RNA) where: Base-Base interactions energy: -1.484 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.924464 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -3.655 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: 4, replica: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -20.116856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.116856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.116856 (E_RNA) where: Base-Base interactions energy: -1.679 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -18.375379 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -3.830 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: 5, replica: 1 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -21.589365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.589365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.589365 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -21.520709 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -21.487141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.487141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.487141 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.002 local terms energy: -21.585570 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -4.413 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: 7, replica: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -20.744783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.744783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.744783 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.744713 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -3.877 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: 6 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -18.877786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.877786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.877786 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.869801 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -2.806 flat angles P-C4'-P energy: -4.251 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: 9, replica: 3 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -20.519465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.519465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.519465 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.519418 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -1.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -20.467882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.467882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.467882 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.460060 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -3.270 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: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -23.009774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.009774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.009774 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -22.996341 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -4.724 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: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -22.449273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.449273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.449273 (E_RNA) where: Base-Base interactions energy: -3.400 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.048847 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: 0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -20.965957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.965957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.965957 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.961956 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -20.239713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.239713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.239713 (E_RNA) where: Base-Base interactions energy: -0.758 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.912 local terms energy: -18.569717 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -20.802147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.802147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.802147 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.802128 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: 0.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -20.447705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.447705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.447705 (E_RNA) where: Base-Base interactions energy: -2.396 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.098 local terms energy: -17.954069 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -2.948 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: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -21.930735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.930735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.930735 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.930728 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -19.211770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.211770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.211770 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.211727 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -3.547 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: 4 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -21.005139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.005139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.005139 (E_RNA) where: Base-Base interactions energy: -3.733 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -17.253504 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -2.081 tors. eta vs tors. theta energy: 1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -19.816818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.816818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.816818 (E_RNA) where: Base-Base interactions energy: 0.017 where: short stacking energy: 0.017 Base-Backbone interact. energy: -0.000 local terms energy: -19.833485 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -21.226188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.226188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.226188 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.226134 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -19.440097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.440097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.440097 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.340845 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -2.886 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: 3, replica: 9 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -22.512116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.512116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.512116 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.511708 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -20.793662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.793662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.793662 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.772341 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -24.537938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.537938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.537938 (E_RNA) where: Base-Base interactions energy: -5.298 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.232322 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -3.756 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -3.944 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: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -20.164180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.164180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.164180 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -20.123812 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -2.791 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: 141 Temperature: 1.200000 Total energy: -20.273907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.273907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.273907 (E_RNA) where: Base-Base interactions energy: -0.557 where: short stacking energy: 0.080 Base-Backbone interact. energy: -0.004 local terms energy: -19.712927 where: bonds (distance) C4'-P energy: -3.847 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -4.564 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: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -21.770135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.770135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.770135 (E_RNA) where: Base-Base interactions energy: -5.450 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -16.308423 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: 1.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -21.708095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.708095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.708095 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.708004 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -3.714 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: 10, replica: 3 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -20.184677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.184677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.184677 (E_RNA) where: Base-Base interactions energy: -5.422 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -14.602060 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: 4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -21.652246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.652246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.652246 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.752196 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -4.396 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: 2, replica: 7 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -25.827922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.827922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.827922 (E_RNA) where: Base-Base interactions energy: -5.101 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.726764 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -3.960 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: 3, replica: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -20.878591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.878591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.878591 (E_RNA) where: Base-Base interactions energy: -3.472 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.424 local terms energy: -16.982040 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.138 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: 4, replica: 8 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -19.340025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.340025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.340025 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -19.195550 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: 1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -22.147001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.147001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.147001 (E_RNA) where: Base-Base interactions energy: -4.580 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -17.555823 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: 0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -21.343697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.343697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.343697 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -21.247301 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -2.580 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -19.814116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.814116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.814116 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.715334 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -0.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -19.720150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.720150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.720150 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.250 local terms energy: -19.970477 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: 0.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -19.455005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.455005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.455005 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.454309 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -21.439848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.439848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.439848 (E_RNA) where: Base-Base interactions energy: -4.674 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -16.732539 where: bonds (distance) C4'-P energy: -1.441 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -21.645189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.645189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.645189 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.870 local terms energy: -20.774854 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -4.323 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: 2, replica: 7 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -20.734256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.734256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.734256 (E_RNA) where: Base-Base interactions energy: -0.204 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.529231 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -22.815735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.815735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.815735 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -22.716177 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.069 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: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -19.936719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.936719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.936719 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.777 local terms energy: -19.159929 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: 0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -20.936218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.936218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.936218 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.933700 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -19.724472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.724472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.724472 (E_RNA) where: Base-Base interactions energy: -0.555 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -19.095153 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -2.807 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: 7, replica: 5 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -21.502170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.502170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.502170 (E_RNA) where: Base-Base interactions energy: -4.149 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -17.305920 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.416 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: 8, replica: 3 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -19.002299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.002299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.002299 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.999863 where: bonds (distance) C4'-P energy: -1.325 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -20.319701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319701 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.423 local terms energy: -19.896413 where: bonds (distance) C4'-P energy: -3.304 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.524 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: 10, replica: 2 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -19.650550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.650550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.650550 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.650545 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.953 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: 1, replica: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -21.611951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.611951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.611951 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.609448 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -3.707 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: 2, replica: 10 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -21.639107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.639107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.639107 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.635908 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.791 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: 9 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -20.549121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.549121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.549121 (E_RNA) where: Base-Base interactions energy: 0.998 where: short stacking energy: 0.998 Base-Backbone interact. energy: -0.002 local terms energy: -21.545272 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -3.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -21.033015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.033015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.033015 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.030372 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -21.248948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.248948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.248948 (E_RNA) where: Base-Base interactions energy: 0.036 where: short stacking energy: 0.036 Base-Backbone interact. energy: -0.000 local terms energy: -21.284795 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.189 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -19.574865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.574865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.574865 (E_RNA) where: Base-Base interactions energy: -2.741 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.205 local terms energy: -16.629106 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -2.655 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: 7, replica: 5 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -19.155125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.155125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.155125 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.154567 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: 0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -19.368343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.368343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.368343 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.056 local terms energy: -19.424809 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -3.270 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.818 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: 9, replica: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -20.091203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.091203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.091203 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.189 local terms energy: -19.902589 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -0.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -18.842122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.842122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.842122 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.842121 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: -1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -22.679043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.679043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.679043 (E_RNA) where: Base-Base interactions energy: -4.103 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -18.480239 where: bonds (distance) C4'-P energy: -4.886 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: 0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -24.441678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.441678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.441678 (E_RNA) where: Base-Base interactions energy: 0.060 where: short stacking energy: 0.060 Base-Backbone interact. energy: -0.000 local terms energy: -24.501478 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -5.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -21.677904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.677904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.677904 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.677517 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -20.555731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.555731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.555731 (E_RNA) where: Base-Base interactions energy: -4.446 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -16.086723 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -2.569 flat angles C4'-P-C4' energy: -1.590 flat angles P-C4'-P energy: -3.118 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: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -20.830663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.830663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.830663 (E_RNA) where: Base-Base interactions energy: -1.811 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.018897 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -2.496 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: 6, replica: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -21.109849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.109849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.109849 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -21.093454 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -20.741969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.741969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.741969 (E_RNA) where: Base-Base interactions energy: -2.925 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.119 local terms energy: -17.697562 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -19.155753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.155753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.155753 (E_RNA) where: Base-Base interactions energy: -1.411 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -17.639835 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -2.970 tors. eta vs tors. theta energy: 0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -19.152105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.152105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.152105 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.152065 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -1.818 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: 10, replica: 1 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -19.457927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.457927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.457927 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.456170 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: 0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -21.413539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.413539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.413539 (E_RNA) where: Base-Base interactions energy: -0.702 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.117 local terms energy: -20.594244 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: 0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -21.299256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.299256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.299256 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.299110 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -3.599 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: 3, replica: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -22.696939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.696939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.696939 (E_RNA) where: Base-Base interactions energy: -2.590 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -20.074924 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: 0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -22.374653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.374653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.374653 (E_RNA) where: Base-Base interactions energy: -1.101 where: short stacking energy: 0.889 Base-Backbone interact. energy: -0.001 local terms energy: -21.272170 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.671 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: 5, replica: 5 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -20.326281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.326281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.326281 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.322688 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -19.939149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.939149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.939149 (E_RNA) where: Base-Base interactions energy: -0.214 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.420 local terms energy: -19.305139 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: 0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -20.533265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.533265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.533265 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.532553 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -3.425 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: 8, replica: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -21.096587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.096587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.096587 (E_RNA) where: Base-Base interactions energy: -5.438 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -15.557543 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -1.602 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -20.812478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.812478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.812478 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.812314 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -19.225972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.225972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.225972 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -19.169749 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -3.705 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: 1, replica: 9 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -22.246086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.246086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.246086 (E_RNA) where: Base-Base interactions energy: -4.605 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -17.572366 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: 2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -23.419653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.419653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.419653 (E_RNA) where: Base-Base interactions energy: -2.556 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.421 local terms energy: -20.442937 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -4.646 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: 3, replica: 7 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -21.488537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.488537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.488537 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.488424 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -19.884412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.884412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.884412 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -19.870900 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -20.487622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.487622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.487622 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.487584 where: bonds (distance) C4'-P energy: -4.687 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -20.003313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.003313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.003313 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -19.957274 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -3.492 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: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -20.075155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.075155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.075155 (E_RNA) where: Base-Base interactions energy: -4.755 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -15.198809 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.166 flat angles P-C4'-P energy: -3.521 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: 8, replica: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -21.801458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.801458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.801458 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.800979 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -19.809331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.809331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.809331 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.808838 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -19.375853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.375853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.375853 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.375744 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -21.656659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.656659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.656659 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: 0.479 local terms energy: -22.435815 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -0.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -21.009197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.009197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.009197 (E_RNA) where: Base-Base interactions energy: -5.713 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -15.169165 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -2.623 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: 5 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -20.735414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.735414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.735414 (E_RNA) where: Base-Base interactions energy: -5.615 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -15.116597 where: bonds (distance) C4'-P energy: -3.454 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -4.694 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: 4, replica: 7 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -19.858002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.858002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.858002 (E_RNA) where: Base-Base interactions energy: -1.830 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.117 local terms energy: -16.910904 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.400 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: 5, replica: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -21.645006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.645006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.645006 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.644414 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -20.367576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.367576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.367576 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.366722 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.847 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: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -21.285348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.285348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.285348 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.283954 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -4.281 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: 8, replica: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -18.701652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.701652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.701652 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.334 local terms energy: -18.367988 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.472 flat angles P-C4'-P energy: -2.071 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: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -18.477232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.477232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.477232 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.377164 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -3.583 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: 10, replica: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -19.793876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.793876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.793876 (E_RNA) where: Base-Base interactions energy: 0.153 where: short stacking energy: 0.153 Base-Backbone interact. energy: -0.015 local terms energy: -19.931300 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -4.173 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: 1, replica: 4 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -21.545400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.545400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.545400 (E_RNA) where: Base-Base interactions energy: -2.492 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.036499 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: 0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -23.353952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.353952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.353952 (E_RNA) where: Base-Base interactions energy: -5.343 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.005711 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.094 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: 3, replica: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -20.634269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.634269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.634269 (E_RNA) where: Base-Base interactions energy: -1.403 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.230899 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.671 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: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -20.523531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.523531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.523531 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.523531 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -0.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -20.182225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.182225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.182225 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.174757 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -4.446 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: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -20.798189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.798189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.798189 (E_RNA) where: Base-Base interactions energy: -5.708 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -15.029683 where: bonds (distance) C4'-P energy: -3.163 bonds (distance) P-C4' energy: -4.675 flat angles C4'-P-C4' energy: -2.360 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -19.470273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.470273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.470273 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.469293 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.103 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: 3 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -19.382455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.382455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.382455 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -19.313018 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: 0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -18.724277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.724277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.724277 (E_RNA) where: Base-Base interactions energy: -2.047 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -16.534160 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -2.090 tors. eta vs tors. theta energy: 1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -19.257048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.257048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.257048 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.249413 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -21.062660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.062660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.062660 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.061730 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -4.364 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: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -23.556898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.556898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.556898 (E_RNA) where: Base-Base interactions energy: -4.566 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -18.924160 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -22.020635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.020635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.020635 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.019017 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -4.084 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: 4, replica: 9 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -21.075648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.075648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.075648 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -21.048975 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -4.209 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: 5, replica: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -20.686275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.686275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.686275 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.685550 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -21.465334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.465334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.465334 (E_RNA) where: Base-Base interactions energy: 0.059 where: short stacking energy: 0.059 Base-Backbone interact. energy: -0.016 local terms energy: -21.509014 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -19.307332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.307332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.307332 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.306170 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -3.877 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: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -20.245285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.245285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.245285 (E_RNA) where: Base-Base interactions energy: 0.468 where: short stacking energy: 0.468 Base-Backbone interact. energy: -0.039 local terms energy: -20.673555 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: 0.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -19.186914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.186914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.186914 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -19.173014 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.465 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: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -18.429675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.429675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.429675 (E_RNA) where: Base-Base interactions energy: 0.663 where: short stacking energy: 1.141 Base-Backbone interact. energy: -0.398 local terms energy: -18.693982 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -2.673 tors. eta vs tors. theta energy: -0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -22.888850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.888850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.888850 (E_RNA) where: Base-Base interactions energy: -4.282 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.177 local terms energy: -18.429867 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.075 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: 2, replica: 2 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -20.828677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.828677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.828677 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -20.683116 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -20.972786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.972786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.972786 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -20.938724 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.175 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: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -22.112973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.112973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.112973 (E_RNA) where: Base-Base interactions energy: -2.025 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.087836 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: -3.276 tors. eta vs tors. theta energy: -0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -19.516701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.516701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.516701 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -19.453679 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: 0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -19.726837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.726837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.726837 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -19.623784 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -4.076 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: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -20.066926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.066926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.066926 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.869 local terms energy: -19.198080 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: 1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -22.655761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.655761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.655761 (E_RNA) where: Base-Base interactions energy: -3.533 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.380 local terms energy: -18.743156 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: 1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -19.983146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.983146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.983146 (E_RNA) where: Base-Base interactions energy: 0.025 where: short stacking energy: 0.025 Base-Backbone interact. energy: -0.071 local terms energy: -19.937785 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -21.083551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.083551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.083551 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.082567 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -2.651 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: 1, replica: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -22.377822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.377822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.377822 (E_RNA) where: Base-Base interactions energy: -5.090 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.147 local terms energy: -17.140679 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -3.505 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: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -22.934574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.934574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.934574 (E_RNA) where: Base-Base interactions energy: -4.742 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.200 local terms energy: -17.992516 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: 0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -21.230679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.230679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.230679 (E_RNA) where: Base-Base interactions energy: -2.525 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.528 local terms energy: -18.178016 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -2.307 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: 4, replica: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -21.213927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.213927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.213927 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.213802 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -3.516 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: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -19.734820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.734820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.734820 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.734745 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -20.027948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.027948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.027948 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.027075 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -0.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -19.479409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.479409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.479409 (E_RNA) where: Base-Base interactions energy: 0.312 where: short stacking energy: 0.312 Base-Backbone interact. energy: -0.045 local terms energy: -19.746089 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.442 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -21.802345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.802345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.802345 (E_RNA) where: Base-Base interactions energy: 0.052 where: short stacking energy: 0.052 Base-Backbone interact. energy: -0.000 local terms energy: -21.854693 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -1.957 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: 9, replica: 1 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -20.109188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.109188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.109188 (E_RNA) where: Base-Base interactions energy: -0.986 where: short stacking energy: 0.445 Base-Backbone interact. energy: -0.010 local terms energy: -19.113114 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.676 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: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -19.957150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.957150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.957150 (E_RNA) where: Base-Base interactions energy: -5.498 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -14.420297 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -3.007 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: 1, replica: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -20.835989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.835989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.835989 (E_RNA) where: Base-Base interactions energy: -3.054 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -17.777804 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.845 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: 2, replica: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -20.881452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.881452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.881452 (E_RNA) where: Base-Base interactions energy: -2.908 where: short stacking energy: 0.048 Base-Backbone interact. energy: -0.156 local terms energy: -17.817853 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: 0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -19.616249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.616249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.616249 (E_RNA) where: Base-Base interactions energy: -4.149 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -15.366269 where: bonds (distance) C4'-P energy: -2.444 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: 2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -21.921811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.921811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.921811 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.921809 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -3.590 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: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -21.077321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.077321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.077321 (E_RNA) where: Base-Base interactions energy: -2.073 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.996488 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -1.058 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: 6, replica: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -20.896089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.896089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.896089 (E_RNA) where: Base-Base interactions energy: -4.211 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -16.559929 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: 1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -20.564863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.564863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.564863 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -20.531655 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -18.812089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.812089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.812089 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -18.754810 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.063 flat angles P-C4'-P energy: -3.387 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: 9, replica: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -19.688901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.688901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.688901 (E_RNA) where: Base-Base interactions energy: -6.806 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.130 local terms energy: -12.752743 where: bonds (distance) C4'-P energy: -2.923 bonds (distance) P-C4' energy: -3.930 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -2.970 tors. eta vs tors. theta energy: 2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -19.412747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.412747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.412747 (E_RNA) where: Base-Base interactions energy: -3.366 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.198 local terms energy: -15.848330 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: 3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -23.238224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.238224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.238224 (E_RNA) where: Base-Base interactions energy: 0.045 where: short stacking energy: 0.045 Base-Backbone interact. energy: -0.000 local terms energy: -23.282628 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.580 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: 2, replica: 2 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -22.072734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.072734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.072734 (E_RNA) where: Base-Base interactions energy: -1.934 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -20.077638 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -4.332 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: 3, replica: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -21.805825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.805825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.805825 (E_RNA) where: Base-Base interactions energy: -4.197 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.147 local terms energy: -17.461567 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.016 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -21.018013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.018013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.018013 (E_RNA) where: Base-Base interactions energy: -5.009 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -15.923222 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -3.420 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: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -24.184344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.184344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.184344 (E_RNA) where: Base-Base interactions energy: -5.727 where: short stacking energy: 0.083 Base-Backbone interact. energy: -0.131 local terms energy: -18.326065 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.540 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -0.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -19.868208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.868208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.868208 (E_RNA) where: Base-Base interactions energy: -4.623 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -15.230805 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -3.699 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: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -19.233344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.233344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.233344 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.231878 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: 1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -20.495557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.495557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.495557 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.495550 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -3.514 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: 9, replica: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -22.285079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.285079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.285079 (E_RNA) where: Base-Base interactions energy: 0.058 where: short stacking energy: 0.058 Base-Backbone interact. energy: -0.094 local terms energy: -22.249090 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.485 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: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -17.946720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.946720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.946720 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -17.940882 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: 0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -20.848371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.848371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.848371 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -20.747515 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.465 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: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -20.689437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.689437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.689437 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -20.658289 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.429 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: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -21.377110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.377110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.377110 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -21.228433 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -20.825499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.825499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.825499 (E_RNA) where: Base-Base interactions energy: -6.758 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -14.059568 where: bonds (distance) C4'-P energy: -3.462 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -3.604 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: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -19.781424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.781424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.781424 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.033 local terms energy: -18.748148 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: 0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -21.242379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.242379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.242379 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.239056 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -20.114792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.114792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.114792 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.112833 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: 0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -19.590581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.590581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.590581 (E_RNA) where: Base-Base interactions energy: -2.777 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.775 local terms energy: -16.038902 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -0.720 tors. eta vs tors. theta energy: 0.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -18.646301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.646301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.646301 (E_RNA) where: Base-Base interactions energy: 0.589 where: short stacking energy: 0.589 Base-Backbone interact. energy: -0.000 local terms energy: -19.235141 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: 0.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -19.631535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.631535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.631535 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.628952 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -3.584 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: 1, replica: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -24.002324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.002324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.002324 (E_RNA) where: Base-Base interactions energy: -3.872 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.120308 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.197 flat angles P-C4'-P energy: -3.660 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: 2, replica: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -20.698665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.698665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.698665 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -20.642642 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -4.456 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: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -21.206572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.206572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.206572 (E_RNA) where: Base-Base interactions energy: 0.109 where: short stacking energy: 0.109 Base-Backbone interact. energy: -0.015 local terms energy: -21.300920 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -20.230928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.230928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.230928 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.230916 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -4.469 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: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -18.901783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.901783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.901783 (E_RNA) where: Base-Base interactions energy: -1.610 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.271 local terms energy: -17.020746 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.695 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: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -20.023649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.023649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.023649 (E_RNA) where: Base-Base interactions energy: -2.075 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.418 local terms energy: -18.367161 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.095 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -20.265531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.265531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.265531 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.251801 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -23.603365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.603365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.603365 (E_RNA) where: Base-Base interactions energy: -2.919 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.681305 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -19.281209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.281209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.281209 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -19.185617 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: 0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -19.707784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.707784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.707784 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -19.563471 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: 0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -26.541460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.541460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.541460 (E_RNA) where: Base-Base interactions energy: -4.276 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -22.168608 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -23.130419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.130419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.130419 (E_RNA) where: Base-Base interactions energy: -3.560 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -19.408788 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -0.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -22.538268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.538268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.538268 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.537770 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -4.343 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: 4, replica: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -21.633015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.633015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.633015 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -21.566469 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -4.116 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: 5, replica: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -21.284855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.284855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.284855 (E_RNA) where: Base-Base interactions energy: 0.558 where: short stacking energy: 0.558 Base-Backbone interact. energy: -0.000 local terms energy: -21.842846 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -21.170811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.170811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.170811 (E_RNA) where: Base-Base interactions energy: -6.238 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -14.879564 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.498 flat angles P-C4'-P energy: -1.332 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: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -20.596604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.596604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.596604 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.594934 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -18.943079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.943079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.943079 (E_RNA) where: Base-Base interactions energy: -1.202 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.907 local terms energy: -16.834473 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -3.758 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -0.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -20.150496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.150496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.150496 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -20.077504 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -1.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -18.769358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.769358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.769358 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.768540 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -21.020159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.020159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.020159 (E_RNA) where: Base-Base interactions energy: -4.227 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.468 local terms energy: -16.325596 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: 1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -21.520757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.520757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.520757 (E_RNA) where: Base-Base interactions energy: -3.546 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -17.970514 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -1.042 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -21.311289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.311289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.311289 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.470 local terms energy: -20.841425 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: 0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -21.271591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.271591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.271591 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.269013 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -22.425250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.425250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.425250 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.424838 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -19.941417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.941417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.941417 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.939999 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -21.874145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.874145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.874145 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.874143 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.210 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -19.587437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.587437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.587437 (E_RNA) where: Base-Base interactions energy: -1.136 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -18.383608 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -19.810798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.810798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.810798 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.810616 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: -0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -20.516734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.516734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.516734 (E_RNA) where: Base-Base interactions energy: 0.282 where: short stacking energy: 0.282 Base-Backbone interact. energy: -0.001 local terms energy: -20.797799 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -22.656889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.656889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.656889 (E_RNA) where: Base-Base interactions energy: -3.604 where: short stacking energy: 0.275 Base-Backbone interact. energy: -0.026 local terms energy: -19.026568 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -2.784 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: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -21.026686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.026686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.026686 (E_RNA) where: Base-Base interactions energy: -3.710 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.155 local terms energy: -17.161620 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -0.989 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: 3, replica: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -22.060527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.060527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.060527 (E_RNA) where: Base-Base interactions energy: -0.175 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.755 local terms energy: -21.131112 where: bonds (distance) C4'-P energy: -4.811 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -20.508060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.508060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.508060 (E_RNA) where: Base-Base interactions energy: -1.577 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -18.838624 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: 0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -20.275093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.275093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.275093 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.275022 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -21.439404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.439404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.439404 (E_RNA) where: Base-Base interactions energy: -4.762 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -16.595096 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: 0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -21.488739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.488739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.488739 (E_RNA) where: Base-Base interactions energy: -5.522 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -15.846047 where: bonds (distance) C4'-P energy: -2.819 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: 0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -20.154440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.154440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.154440 (E_RNA) where: Base-Base interactions energy: 0.138 where: short stacking energy: 0.138 Base-Backbone interact. energy: -0.100 local terms energy: -20.192133 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -19.205031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.205031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.205031 (E_RNA) where: Base-Base interactions energy: -1.308 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -17.876042 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: 0.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -20.964151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.964151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.964151 (E_RNA) where: Base-Base interactions energy: -5.048 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.056 local terms energy: -15.860475 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -2.955 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: 160 Temperature: 0.900000 Total energy: -21.446944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.446944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.446944 (E_RNA) where: Base-Base interactions energy: -1.937 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -19.387550 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: 0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -22.476191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.476191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.476191 (E_RNA) where: Base-Base interactions energy: -0.633 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.841722 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -4.487 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: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -22.363703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.363703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.363703 (E_RNA) where: Base-Base interactions energy: -5.723 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -16.573909 where: bonds (distance) C4'-P energy: -2.993 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.906 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: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -20.080284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.080284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.080284 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.079769 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -2.808 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: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -20.766174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.766174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.766174 (E_RNA) where: Base-Base interactions energy: -5.299 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -15.334121 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: 2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -20.452994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.452994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.452994 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.452971 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.863 flat angles P-C4'-P energy: -4.107 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: 7, replica: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -23.621116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.621116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.621116 (E_RNA) where: Base-Base interactions energy: -5.800 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.254 local terms energy: -17.567213 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -20.216232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.216232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.216232 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.215870 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -20.573803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.573803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.573803 (E_RNA) where: Base-Base interactions energy: -3.555 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -17.013887 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: 1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -22.242651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.242651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.242651 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -22.237069 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -22.226850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.226850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.226850 (E_RNA) where: Base-Base interactions energy: 0.034 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.049 local terms energy: -22.212116 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -3.567 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: 2, replica: 2 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -20.182049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.182049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.182049 (E_RNA) where: Base-Base interactions energy: 0.010 where: short stacking energy: 0.010 Base-Backbone interact. energy: -0.001 local terms energy: -20.190850 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -19.925832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.925832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.925832 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.342 local terms energy: -18.583882 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -3.626 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: 4, replica: 7 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -20.684162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.684162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.684162 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.684098 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -20.897903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.897903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.897903 (E_RNA) where: Base-Base interactions energy: -5.771 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.172 local terms energy: -14.955117 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -0.584 tors. eta vs tors. theta energy: 1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -22.328107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.328107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.328107 (E_RNA) where: Base-Base interactions energy: -3.572 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.749160 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -3.206 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: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -20.202049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.202049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.202049 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.200476 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -19.631131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.631131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.631131 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.610420 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -4.782 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: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -20.086366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.086366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.086366 (E_RNA) where: Base-Base interactions energy: -1.480 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.605941 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -2.955 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: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -18.605706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.605706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.605706 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.978 local terms energy: -17.627823 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: 1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -27.602246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.602246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.602246 (E_RNA) where: Base-Base interactions energy: -6.640 where: short stacking energy: 0.440 Base-Backbone interact. energy: -0.145 local terms energy: -20.817451 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -23.039874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.039874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.039874 (E_RNA) where: Base-Base interactions energy: -4.486 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -18.504378 where: bonds (distance) C4'-P energy: -3.906 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -21.040726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.040726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.040726 (E_RNA) where: Base-Base interactions energy: 0.800 where: short stacking energy: 0.800 Base-Backbone interact. energy: -0.000 local terms energy: -21.840724 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.206 flat angles P-C4'-P energy: -3.513 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: 4, replica: 7 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -21.622093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.622093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.622093 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.621980 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.192 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -4.512 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: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -20.740817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.740817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.740817 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.725184 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -20.097753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.097753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.097753 (E_RNA) where: Base-Base interactions energy: 0.575 where: short stacking energy: 0.575 Base-Backbone interact. energy: -0.000 local terms energy: -20.672011 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -0.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -18.926803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.926803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.926803 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.926566 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.540 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: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -20.023083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.023083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.023083 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -20.010647 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -20.651272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.651272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.651272 (E_RNA) where: Base-Base interactions energy: -1.936 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.714976 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -2.439 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: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -20.045138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.045138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.045138 (E_RNA) where: Base-Base interactions energy: -4.600 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.182 local terms energy: -15.263765 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -0.699 tors. eta vs tors. theta energy: 1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -20.748673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.748673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.748673 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.747146 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -3.233 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: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -22.512518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.512518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.512518 (E_RNA) where: Base-Base interactions energy: -3.693 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.946 local terms energy: -17.873462 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: 0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -21.480558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.480558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.480558 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.480147 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -1.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -18.998173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.998173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.998173 (E_RNA) where: Base-Base interactions energy: -0.135 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -18.742620 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -20.535827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.535827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.535827 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -20.482855 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -2.515 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -19.846931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.846931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.846931 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.843448 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -2.900 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -20.177953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.177953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.177953 (E_RNA) where: Base-Base interactions energy: -2.866 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -17.219226 where: bonds (distance) C4'-P energy: -3.884 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -4.029 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: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -19.361129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.361129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.361129 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -19.339136 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -2.171 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -21.727838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.727838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.727838 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.726989 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.323 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: 10, replica: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -19.058393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.058393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.058393 (E_RNA) where: Base-Base interactions energy: -3.701 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -15.344151 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: 3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -22.941461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.941461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.941461 (E_RNA) where: Base-Base interactions energy: -4.998 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.201 local terms energy: -17.741876 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.809 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: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -23.038734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.038734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.038734 (E_RNA) where: Base-Base interactions energy: -3.363 where: short stacking energy: 0.718 Base-Backbone interact. energy: -1.105 local terms energy: -18.569926 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: 0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -21.545324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.545324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.545324 (E_RNA) where: Base-Base interactions energy: -4.688 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -16.852994 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -1.670 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: 4, replica: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -21.842720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.842720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.842720 (E_RNA) where: Base-Base interactions energy: -4.556 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -17.245470 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: 2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -21.798137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.798137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.798137 (E_RNA) where: Base-Base interactions energy: -2.107 where: short stacking energy: 0.564 Base-Backbone interact. energy: -0.000 local terms energy: -19.690491 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -4.763 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: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -20.646755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.646755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.646755 (E_RNA) where: Base-Base interactions energy: -7.344 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.209 local terms energy: -13.093685 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.998 flat angles C4'-P-C4' energy: -3.180 flat angles P-C4'-P energy: -3.061 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: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -21.314443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.314443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.314443 (E_RNA) where: Base-Base interactions energy: -5.006 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -16.267595 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: 1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -21.816145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.816145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.816145 (E_RNA) where: Base-Base interactions energy: -5.987 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.135 local terms energy: -15.693347 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: 2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -18.580403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.580403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.580403 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.173 local terms energy: -18.753009 where: bonds (distance) C4'-P energy: -4.062 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -4.579 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: 10, replica: 6 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -20.015605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.015605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.015605 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.006004 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -4.542 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: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -23.762906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.762906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.762906 (E_RNA) where: Base-Base interactions energy: -2.788 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -20.922691 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -22.334852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.334852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.334852 (E_RNA) where: Base-Base interactions energy: 0.005 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.368 local terms energy: -21.972171 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -21.439968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.439968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.439968 (E_RNA) where: Base-Base interactions energy: -4.393 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -16.936264 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: 2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -20.761690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.761690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.761690 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.576 local terms energy: -20.185989 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -4.087 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: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -19.956410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.956410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.956410 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -19.803146 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -3.838 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: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -19.414380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.414380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.414380 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.004 local terms energy: -19.910254 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -21.288072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.288072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.288072 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.287683 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -4.864 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: 8, replica: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -18.943499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.943499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.943499 (E_RNA) where: Base-Base interactions energy: -3.111 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -15.738146 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -2.792 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: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -21.294301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.294301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.294301 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -21.266120 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -19.236581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.236581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.236581 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.956 local terms energy: -18.280540 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -4.024 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: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -21.055899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.055899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.055899 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -21.040124 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -22.615466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.615466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.615466 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.615463 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -20.453310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.453310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.453310 (E_RNA) where: Base-Base interactions energy: -1.298 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.833 local terms energy: -18.322282 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: 0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -20.530354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.530354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.530354 (E_RNA) where: Base-Base interactions energy: 0.091 where: short stacking energy: 0.091 Base-Backbone interact. energy: -0.286 local terms energy: -20.335290 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -4.675 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: 10 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -21.980755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.980755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.980755 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.011 local terms energy: -22.269477 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.761 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: 6, replica: 1 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -21.860444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.860444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.860444 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -21.843617 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -4.553 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: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -19.177882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.177882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.177882 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.177468 where: bonds (distance) C4'-P energy: -3.180 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -20.064702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.064702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.064702 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -19.946723 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -19.574330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.574330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.574330 (E_RNA) where: Base-Base interactions energy: -0.159 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -19.393023 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -1.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -21.341260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.341260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.341260 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.854 local terms energy: -20.686773 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.963 flat angles P-C4'-P energy: -3.478 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: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -23.379763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.379763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.379763 (E_RNA) where: Base-Base interactions energy: -5.580 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -17.714305 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.371 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: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -23.637764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.637764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.637764 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.637758 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -21.528138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.528138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.528138 (E_RNA) where: Base-Base interactions energy: -3.549 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.965 local terms energy: -17.013427 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: 2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -23.003754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.003754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.003754 (E_RNA) where: Base-Base interactions energy: -5.705 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -17.207172 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: 1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -20.261775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.261775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.261775 (E_RNA) where: Base-Base interactions energy: -0.509 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.740391 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -22.722096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.722096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.722096 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.722096 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -21.000466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.000466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.000466 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.006 local terms energy: -21.094097 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.108 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -20.398975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.398975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.398975 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.398970 where: bonds (distance) C4'-P energy: -3.171 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -21.150180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.150180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.150180 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.150177 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -1.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -21.096004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.096004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.096004 (E_RNA) where: Base-Base interactions energy: -4.171 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -16.903431 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.303 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: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -22.187296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.187296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.187296 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.545 local terms energy: -20.642450 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -4.371 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: 2, replica: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -24.113430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.113430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.113430 (E_RNA) where: Base-Base interactions energy: -5.091 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -18.991980 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -19.739547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.739547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.739547 (E_RNA) where: Base-Base interactions energy: -0.043 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -19.616074 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -21.368717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.368717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.368717 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.177 local terms energy: -21.545852 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -3.539 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: 5, replica: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -20.159001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.159001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.159001 (E_RNA) where: Base-Base interactions energy: -4.246 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.434 local terms energy: -15.479528 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.776 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: 1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -22.042788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.042788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.042788 (E_RNA) where: Base-Base interactions energy: -5.140 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -16.828106 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -2.743 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: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -19.762604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.762604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.762604 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.760394 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -2.312 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: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -20.132412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.132412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.132412 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.132066 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -4.007 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: 9, replica: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -20.416094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.416094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.416094 (E_RNA) where: Base-Base interactions energy: -1.569 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -18.774490 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.253 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: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -20.233759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.233759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.233759 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.220897 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -21.786191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.786191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.786191 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -21.687252 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -21.158811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.158811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.158811 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.158805 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -4.342 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: 3, replica: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -20.818714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.818714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.818714 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -20.742358 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -22.230334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.230334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.230334 (E_RNA) where: Base-Base interactions energy: -0.987 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -21.098677 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -22.595031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.595031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.595031 (E_RNA) where: Base-Base interactions energy: -4.616 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -17.910980 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -20.616894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.616894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.616894 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.614667 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -19.182260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.182260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.182260 (E_RNA) where: Base-Base interactions energy: -2.634 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -16.460040 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.081 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -0.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -19.800002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.800002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.800002 (E_RNA) where: Base-Base interactions energy: -5.122 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -14.557044 where: bonds (distance) C4'-P energy: -4.015 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.106 flat angles P-C4'-P energy: -4.208 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: 169 Temperature: 1.300000 Total energy: -19.516094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.516094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.516094 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -19.449205 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: 1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -19.877494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.877494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.877494 (E_RNA) where: Base-Base interactions energy: -4.072 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -15.800285 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -1.734 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -22.449555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.449555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.449555 (E_RNA) where: Base-Base interactions energy: -4.649 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.143 local terms energy: -17.656853 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -4.254 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: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -20.946894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.946894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.946894 (E_RNA) where: Base-Base interactions energy: -5.295 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -15.565653 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: 2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -21.801719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.801719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.801719 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.121 local terms energy: -21.981156 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -21.031818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.031818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.031818 (E_RNA) where: Base-Base interactions energy: 0.214 where: short stacking energy: 0.214 Base-Backbone interact. energy: -0.005 local terms energy: -21.240272 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.196 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: 5, replica: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -22.524933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.524933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.524933 (E_RNA) where: Base-Base interactions energy: -3.884 where: short stacking energy: 0.689 Base-Backbone interact. energy: -0.093 local terms energy: -18.547646 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -2.621 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: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -19.212215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.212215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.212215 (E_RNA) where: Base-Base interactions energy: -1.893 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -17.237531 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: 0.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -20.301516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.301516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.301516 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.075 local terms energy: -20.251056 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -3.002 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: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -19.806788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.806788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.806788 (E_RNA) where: Base-Base interactions energy: -7.143 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -12.559052 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -3.204 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: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -19.458265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.458265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.458265 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.458195 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -18.973856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.973856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.973856 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.973479 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -3.786 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: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -22.449400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.449400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.449400 (E_RNA) where: Base-Base interactions energy: -5.303 where: short stacking energy: 0.161 Base-Backbone interact. energy: 0.455 local terms energy: -17.601900 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -3.422 flat angles P-C4'-P energy: -4.607 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: 2, replica: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -22.232299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.232299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.232299 (E_RNA) where: Base-Base interactions energy: -3.376 where: short stacking energy: 0.142 Base-Backbone interact. energy: -0.001 local terms energy: -18.855491 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -0.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -21.254475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.254475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.254475 (E_RNA) where: Base-Base interactions energy: -0.851 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.968 local terms energy: -19.435828 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -21.339127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.339127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.339127 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.339093 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -4.543 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: 171 Temperature: 1.100000 Total energy: -20.515340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.515340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.515340 (E_RNA) where: Base-Base interactions energy: -2.882 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.216 local terms energy: -17.849722 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.014 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: 6, replica: 8 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -19.852074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.852074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.852074 (E_RNA) where: Base-Base interactions energy: -4.074 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.249 local terms energy: -15.529073 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.718 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -0.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -20.800248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.800248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.800248 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.799779 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -20.324472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.324472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.324472 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -20.226766 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -3.904 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: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -20.635860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.635860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.635860 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.635853 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -18.390614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.390614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.390614 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -18.298848 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.845 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: 1, replica: 4 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -22.569964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.569964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.569964 (E_RNA) where: Base-Base interactions energy: -1.273 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.297017 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -4.328 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: 2, replica: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -20.542663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.542663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.542663 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -20.471501 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -4.253 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: 3, replica: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -23.140046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.140046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.140046 (E_RNA) where: Base-Base interactions energy: -4.877 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.011 local terms energy: -18.252100 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: 0.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -21.239778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.239778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.239778 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.239363 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -0.717 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: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -20.618704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.618704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.618704 (E_RNA) where: Base-Base interactions energy: 0.411 where: short stacking energy: 0.411 Base-Backbone interact. energy: -0.126 local terms energy: -20.903342 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.824 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: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -18.722894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.722894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.722894 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.717023 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -3.884 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: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -20.548178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.548178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.548178 (E_RNA) where: Base-Base interactions energy: -2.360 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.087458 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -4.579 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: 8, replica: 3 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -19.223216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.223216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.223216 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.001 local terms energy: -19.422637 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -3.333 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: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -19.700407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.700407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.700407 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -19.644480 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -4.475 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: 10, replica: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -19.435857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.435857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.435857 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -19.364097 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -21.398481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.398481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.398481 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -21.386838 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -4.447 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: 2, replica: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -19.889421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.889421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.889421 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.098 local terms energy: -19.891097 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -20.059179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.059179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.059179 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.059122 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.696 flat angles P-C4'-P energy: -3.644 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: 4, replica: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -21.815734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.815734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.815734 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -22.215727 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -2.864 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: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -22.317971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.317971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.317971 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.317351 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -3.863 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: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -20.477590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.477590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.477590 (E_RNA) where: Base-Base interactions energy: -4.727 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -15.711761 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.077 flat angles P-C4'-P energy: -1.941 tors. eta vs tors. theta energy: 1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -20.421315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.421315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.421315 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -20.334513 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -0.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -19.443020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.443020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.443020 (E_RNA) where: Base-Base interactions energy: 0.265 where: short stacking energy: 0.265 Base-Backbone interact. energy: -0.099 local terms energy: -19.608356 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -1.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -18.694255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.694255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.694255 (E_RNA) where: Base-Base interactions energy: -5.739 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -12.852744 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -0.669 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: 2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -18.169867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.169867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.169867 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.157681 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: 0.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -23.633403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.633403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.633403 (E_RNA) where: Base-Base interactions energy: -4.155 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -19.453622 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -4.124 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: 2, replica: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -21.660759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.660759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.660759 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -21.565327 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -21.399178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.399178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.399178 (E_RNA) where: Base-Base interactions energy: -2.272 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.705 local terms energy: -18.422358 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -2.789 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: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -21.458873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.458873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.458873 (E_RNA) where: Base-Base interactions energy: 0.618 where: short stacking energy: 0.618 Base-Backbone interact. energy: -1.054 local terms energy: -21.023579 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -3.754 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: 5, replica: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -22.329172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.329172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.329172 (E_RNA) where: Base-Base interactions energy: -0.671 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.001 local terms energy: -20.656455 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.764 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: 6, replica: 8 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -19.893495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.893495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.893495 (E_RNA) where: Base-Base interactions energy: 0.369 where: short stacking energy: 0.369 Base-Backbone interact. energy: -0.004 local terms energy: -20.258562 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -3.937 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: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -20.866325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.866325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.866325 (E_RNA) where: Base-Base interactions energy: -5.954 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -14.822492 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -0.847 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: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -21.122748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.122748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.122748 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -21.107546 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -4.657 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: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -20.858527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.858527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.858527 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.858500 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -4.337 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: 10, replica: 3 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -20.442309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.442309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.442309 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.436150 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -1.797 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -20.892557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.892557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.892557 (E_RNA) where: Base-Base interactions energy: -3.009 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -17.870549 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -3.941 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: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -23.690117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.690117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.690117 (E_RNA) where: Base-Base interactions energy: -7.019 where: short stacking energy: 0.072 Base-Backbone interact. energy: -0.192 local terms energy: -16.479651 where: bonds (distance) C4'-P energy: -3.155 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: 2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -24.038828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.038828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.038828 (E_RNA) where: Base-Base interactions energy: -4.401 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.635135 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.667 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -19.988358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.988358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.988358 (E_RNA) where: Base-Base interactions energy: -1.155 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.908 local terms energy: -17.925512 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.286 flat angles P-C4'-P energy: -4.173 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: 5, replica: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -19.398333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.398333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.398333 (E_RNA) where: Base-Base interactions energy: -2.658 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -16.626818 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: 1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -21.468328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.468328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.468328 (E_RNA) where: Base-Base interactions energy: -1.287 where: short stacking energy: 0.047 Base-Backbone interact. energy: -0.000 local terms energy: -20.181268 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -2.454 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: 7, replica: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -20.677420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.677420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.677420 (E_RNA) where: Base-Base interactions energy: -3.372 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.748 local terms energy: -16.557423 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.055 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: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -19.338289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.338289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.338289 (E_RNA) where: Base-Base interactions energy: 0.357 where: short stacking energy: 0.357 Base-Backbone interact. energy: -0.013 local terms energy: -19.682394 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -3.321 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: 9, replica: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -18.813037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.813037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.813037 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -18.740189 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: 0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -17.523983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.523983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.523983 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.523778 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -21.338740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.338740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.338740 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -21.316990 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -4.645 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: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -23.796871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.796871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.796871 (E_RNA) where: Base-Base interactions energy: -6.185 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -17.531389 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -3.988 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: 3, replica: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -21.862890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.862890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.862890 (E_RNA) where: Base-Base interactions energy: -1.242 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.620059 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -4.908 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: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -23.806985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.806985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.806985 (E_RNA) where: Base-Base interactions energy: -5.555 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -18.240105 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: 0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -20.554259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.554259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.554259 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.546617 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -4.202 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: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -20.196492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.196492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.196492 (E_RNA) where: Base-Base interactions energy: 0.256 where: short stacking energy: 0.256 Base-Backbone interact. energy: -0.037 local terms energy: -20.415017 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: 0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -20.410789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.410789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.410789 (E_RNA) where: Base-Base interactions energy: 0.973 where: short stacking energy: 0.973 Base-Backbone interact. energy: -0.101 local terms energy: -21.283139 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -20.099077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.099077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.099077 (E_RNA) where: Base-Base interactions energy: -0.214 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.872 local terms energy: -19.013238 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.459 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: 9, replica: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -19.238842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.238842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.238842 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -19.127369 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -19.605001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.605001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.605001 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.520519 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -21.528371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.528371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.528371 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -21.418105 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -4.004 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: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -21.295976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.295976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.295976 (E_RNA) where: Base-Base interactions energy: -3.546 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -17.735890 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.776 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: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -24.165688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.165688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.165688 (E_RNA) where: Base-Base interactions energy: -5.190 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.196 local terms energy: -18.779362 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: 0.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -20.827610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.827610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.827610 (E_RNA) where: Base-Base interactions energy: -4.354 where: short stacking energy: 0.306 Base-Backbone interact. energy: -1.703 local terms energy: -14.770526 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -4.003 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: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -20.914334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.914334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.914334 (E_RNA) where: Base-Base interactions energy: -0.091 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.215 local terms energy: -21.038092 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.241 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -19.062523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.062523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.062523 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -18.897916 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -18.480916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.480916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.480916 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.480075 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -1.713 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: 8, replica: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -19.208919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.208919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.208919 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -19.069838 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -18.562991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.562991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.562991 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.550923 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -2.360 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -20.622202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.622202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.622202 (E_RNA) where: Base-Base interactions energy: -0.223 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.393345 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: 0.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -23.872133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.872133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.872133 (E_RNA) where: Base-Base interactions energy: -3.549 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.976 local terms energy: -19.346904 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -24.012738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.012738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.012738 (E_RNA) where: Base-Base interactions energy: -4.940 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -19.011621 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -21.727480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.727480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.727480 (E_RNA) where: Base-Base interactions energy: -2.577 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.148954 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.213 flat angles P-C4'-P energy: -4.787 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: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -20.104941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.104941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.104941 (E_RNA) where: Base-Base interactions energy: -3.606 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.119 local terms energy: -16.379976 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -3.322 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: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -20.419937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.419937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.419937 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.001 local terms energy: -20.819030 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -3.736 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: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -20.547618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.547618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.547618 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.015 local terms energy: -20.732393 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.144 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: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -20.314559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.314559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.314559 (E_RNA) where: Base-Base interactions energy: -1.396 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -18.878937 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.131 flat angles P-C4'-P energy: -3.868 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: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -20.315023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.315023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.315023 (E_RNA) where: Base-Base interactions energy: 0.631 where: short stacking energy: 0.531 Base-Backbone interact. energy: -0.029 local terms energy: -20.917215 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -20.615571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.615571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.615571 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -20.524127 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -3.941 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: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -20.715974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.715974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.715974 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.715953 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.570 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: 1, replica: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -21.946471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.946471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.946471 (E_RNA) where: Base-Base interactions energy: -5.246 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -16.554788 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: 2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -23.920640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.920640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.920640 (E_RNA) where: Base-Base interactions energy: -6.632 where: short stacking energy: 0.178 Base-Backbone interact. energy: -0.015 local terms energy: -17.273859 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -2.729 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: 3, replica: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -24.081578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.081578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.081578 (E_RNA) where: Base-Base interactions energy: -11.028 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -12.878212 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: 4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -21.377064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.377064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.377064 (E_RNA) where: Base-Base interactions energy: 0.312 where: short stacking energy: 0.312 Base-Backbone interact. energy: -0.000 local terms energy: -21.688894 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -2.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -23.616885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.616885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.616885 (E_RNA) where: Base-Base interactions energy: -5.537 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.074 local terms energy: -18.005868 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.616 flat angles P-C4'-P energy: -3.378 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: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -21.848900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.848900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.848900 (E_RNA) where: Base-Base interactions energy: -4.591 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -17.157802 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: 1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -18.950568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.950568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.950568 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.950568 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -18.804187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.804187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.804187 (E_RNA) where: Base-Base interactions energy: -4.452 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -14.288196 where: bonds (distance) C4'-P energy: -3.242 bonds (distance) P-C4' energy: -3.405 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -3.131 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: 9, replica: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -19.657707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.657707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.657707 (E_RNA) where: Base-Base interactions energy: -0.606 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.748 local terms energy: -17.302944 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: 1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -20.214069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.214069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.214069 (E_RNA) where: Base-Base interactions energy: -1.619 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.200 local terms energy: -18.395911 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: 1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -25.191123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.191123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.191123 (E_RNA) where: Base-Base interactions energy: -4.761 where: short stacking energy: 0.096 Base-Backbone interact. energy: -0.424 local terms energy: -20.005960 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -4.195 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: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -21.020613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.020613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.020613 (E_RNA) where: Base-Base interactions energy: -3.273 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -17.723458 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: 2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -20.250106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.250106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.250106 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -20.185283 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: 0.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -22.516422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.516422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.516422 (E_RNA) where: Base-Base interactions energy: -4.355 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.291 local terms energy: -17.870450 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.427 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: 0.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -22.101230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.101230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.101230 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.101201 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -3.906 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: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -20.877486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.877486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.877486 (E_RNA) where: Base-Base interactions energy: -3.138 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.737739 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -2.807 flat angles P-C4'-P energy: -4.215 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: 7, replica: 3 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -21.765609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.765609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.765609 (E_RNA) where: Base-Base interactions energy: -4.385 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.208 local terms energy: -17.171840 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -2.888 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: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -19.783001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.783001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.783001 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -19.694567 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -18.890176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.890176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.890176 (E_RNA) where: Base-Base interactions energy: 0.130 where: short stacking energy: 0.130 Base-Backbone interact. energy: -0.127 local terms energy: -18.893425 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -19.693963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.693963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.693963 (E_RNA) where: Base-Base interactions energy: -1.931 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -17.705857 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -4.466 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: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -20.440368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.440368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.440368 (E_RNA) where: Base-Base interactions energy: -0.002 where: short stacking energy: 0.044 Base-Backbone interact. energy: -0.100 local terms energy: -20.338438 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -21.073358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.073358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.073358 (E_RNA) where: Base-Base interactions energy: 0.195 where: short stacking energy: 0.195 Base-Backbone interact. energy: -0.185 local terms energy: -21.083438 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -20.624614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.624614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.624614 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.624413 where: bonds (distance) C4'-P energy: -4.385 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -21.248683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.248683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.248683 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.248608 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -20.578720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.578720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.578720 (E_RNA) where: Base-Base interactions energy: -0.081 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.497371 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -21.396728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.396728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.396728 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.394650 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -2.987 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: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -20.253156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.253156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.253156 (E_RNA) where: Base-Base interactions energy: -4.886 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -15.339056 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -0.656 tors. eta vs tors. theta energy: 0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -18.919297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.919297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.919297 (E_RNA) where: Base-Base interactions energy: 0.098 where: short stacking energy: 0.098 Base-Backbone interact. energy: -0.022 local terms energy: -18.994787 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -3.342 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: 9, replica: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -18.161371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.161371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.161371 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.160351 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.970 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: 10, replica: 6 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -19.192788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.192788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.192788 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.192333 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.601 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: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -21.887148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.887148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.887148 (E_RNA) where: Base-Base interactions energy: 0.070 where: short stacking energy: 0.070 Base-Backbone interact. energy: -0.002 local terms energy: -21.955256 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.848 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: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -20.958678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.958678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.958678 (E_RNA) where: Base-Base interactions energy: -0.039 where: short stacking energy: 0.953 Base-Backbone interact. energy: -0.561 local terms energy: -20.358542 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -20.884919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.884919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.884919 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.870362 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: 0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -21.106130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.106130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.106130 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.106122 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: -3.689 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: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -21.596194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.596194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.596194 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.596102 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.452 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: 6, replica: 9 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -24.658190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.658190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.658190 (E_RNA) where: Base-Base interactions energy: -5.438 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.040 local terms energy: -19.260504 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.969 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: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -20.494925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.494925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.494925 (E_RNA) where: Base-Base interactions energy: -2.597 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -17.892854 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -3.776 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: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -18.589574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.589574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.589574 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.010 local terms energy: -18.979456 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -3.437 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: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -19.865953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.865953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.865953 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.853165 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -3.580 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: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -19.320432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.320432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.320432 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.319764 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.678 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: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -20.532944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.532944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.532944 (E_RNA) where: Base-Base interactions energy: -0.539 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.910170 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -22.720880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.720880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.720880 (E_RNA) where: Base-Base interactions energy: -4.438 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -18.272123 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -1.213 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -22.207082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.207082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.207082 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.207014 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -4.598 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: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -22.745737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.745737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.745737 (E_RNA) where: Base-Base interactions energy: -3.213 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.523010 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.400 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -22.961639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.961639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.961639 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.961524 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -19.318690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.318690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.318690 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.610 local terms energy: -18.708870 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -4.083 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: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -19.649504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.649504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.649504 (E_RNA) where: Base-Base interactions energy: -4.683 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.160 local terms energy: -14.806068 where: bonds (distance) C4'-P energy: -0.584 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: 0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -19.065889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.065889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.065889 (E_RNA) where: Base-Base interactions energy: -0.306 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -18.649932 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -4.054 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: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -19.875266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.875266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.875266 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -19.814264 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -18.946260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.946260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.946260 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -18.852395 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -24.091821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.091821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.091821 (E_RNA) where: Base-Base interactions energy: -5.584 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -18.417084 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -2.968 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: 2, replica: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -19.642515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.642515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.642515 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -19.539812 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: 0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -19.577814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.577814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.577814 (E_RNA) where: Base-Base interactions energy: 1.200 where: short stacking energy: 1.200 Base-Backbone interact. energy: -0.055 local terms energy: -20.723015 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -24.272489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.272489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.272489 (E_RNA) where: Base-Base interactions energy: -3.711 where: short stacking energy: 0.800 Base-Backbone interact. energy: -0.002 local terms energy: -20.559969 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.218 flat angles P-C4'-P energy: -4.029 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: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -19.586282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.586282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.586282 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -19.519292 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -4.293 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: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -22.662229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.662229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.662229 (E_RNA) where: Base-Base interactions energy: -3.996 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -18.651788 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.589 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: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -18.487309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.487309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.487309 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.061 local terms energy: -17.426674 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.220 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -4.336 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: 8, replica: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -19.169278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.169278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.169278 (E_RNA) where: Base-Base interactions energy: 0.081 where: short stacking energy: 0.081 Base-Backbone interact. energy: -0.000 local terms energy: -19.250577 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: 0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -21.222751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.222751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.222751 (E_RNA) where: Base-Base interactions energy: -5.629 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -15.493744 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: 1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -19.574838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.574838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.574838 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.559812 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -2.830 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: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -21.713735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.713735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.713735 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -21.607846 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -3.577 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: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -19.357444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.357444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.357444 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.357437 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -3.195 tors. eta vs tors. theta energy: 0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -22.439273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.439273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.439273 (E_RNA) where: Base-Base interactions energy: -5.299 where: short stacking energy: 0.025 Base-Backbone interact. energy: -0.061 local terms energy: -17.079484 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -4.809 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: 4, replica: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -20.668583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.668583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.668583 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.667168 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.523 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: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -20.860326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.860326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.860326 (E_RNA) where: Base-Base interactions energy: -3.219 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.252 local terms energy: -18.893986 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: 0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -19.802697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.802697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.802697 (E_RNA) where: Base-Base interactions energy: 0.344 where: short stacking energy: 0.344 Base-Backbone interact. energy: -0.001 local terms energy: -20.145311 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -18.627665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.627665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.627665 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.627578 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -3.314 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: 8, replica: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -21.905002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.905002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.905002 (E_RNA) where: Base-Base interactions energy: -5.051 where: short stacking energy: 0.580 Base-Backbone interact. energy: -0.093 local terms energy: -16.761200 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -2.407 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: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -23.561708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.561708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.561708 (E_RNA) where: Base-Base interactions energy: 0.389 where: short stacking energy: 0.389 Base-Backbone interact. energy: -0.000 local terms energy: -23.951019 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -3.265 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: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -18.532970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.532970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.532970 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.005 local terms energy: -18.727681 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: 1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -25.174072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.174072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.174072 (E_RNA) where: Base-Base interactions energy: -6.960 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.877 local terms energy: -19.090836 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.409 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: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -21.174177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.174177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.174177 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -21.153729 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -2.912 tors. eta vs tors. theta energy: -1.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -22.175719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.175719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.175719 (E_RNA) where: Base-Base interactions energy: -3.580 where: short stacking energy: 0.319 Base-Backbone interact. energy: -0.455 local terms energy: -18.140478 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: 0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -22.222307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.222307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.222307 (E_RNA) where: Base-Base interactions energy: -7.744 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.909 local terms energy: -13.569670 where: bonds (distance) C4'-P energy: -3.785 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -0.842 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -21.837763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.837763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.837763 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -22.037602 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -1.731 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -5.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -21.593544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.593544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.593544 (E_RNA) where: Base-Base interactions energy: -4.489 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.213 local terms energy: -16.890960 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -2.873 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: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -19.999027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.999027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.999027 (E_RNA) where: Base-Base interactions energy: -4.678 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -15.318887 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -0.682 tors. eta vs tors. theta energy: 1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -20.344528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.344528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.344528 (E_RNA) where: Base-Base interactions energy: 0.169 where: short stacking energy: 0.169 Base-Backbone interact. energy: -0.690 local terms energy: -19.823205 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -0.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -17.905498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.905498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.905498 (E_RNA) where: Base-Base interactions energy: -1.684 where: short stacking energy: 0.816 Base-Backbone interact. energy: -0.068 local terms energy: -16.153018 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: 3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -21.057467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.057467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.057467 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.057458 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -24.161150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.161150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.161150 (E_RNA) where: Base-Base interactions energy: -2.329 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -21.739336 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -4.646 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: 2, replica: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -20.828164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.828164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.828164 (E_RNA) where: Base-Base interactions energy: -7.464 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -13.265421 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -2.926 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: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -20.749312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.749312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.749312 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.747037 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -24.485030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.485030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.485030 (E_RNA) where: Base-Base interactions energy: -4.882 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.503627 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.174 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: 5, replica: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -21.659748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.659748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.659748 (E_RNA) where: Base-Base interactions energy: -2.744 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.815794 where: bonds (distance) C4'-P energy: -3.632 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.445 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: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -21.093409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.093409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.093409 (E_RNA) where: Base-Base interactions energy: -5.963 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.135 local terms energy: -14.995279 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -3.501 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -2.294 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: 7, replica: 8 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -19.723090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.723090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.723090 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.702405 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -19.786374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.786374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.786374 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -19.766941 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.160 flat angles P-C4'-P energy: -4.343 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: 9, replica: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -21.178757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.178757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.178757 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.178757 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.139 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: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -18.601849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.601849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.601849 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.599953 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: 0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -23.443742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.443742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.443742 (E_RNA) where: Base-Base interactions energy: -4.030 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.315466 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.833 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: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -23.229047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.229047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.229047 (E_RNA) where: Base-Base interactions energy: -5.170 where: short stacking energy: 0.029 Base-Backbone interact. energy: -0.084 local terms energy: -17.974394 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -3.225 flat angles P-C4'-P energy: -4.286 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: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -22.107148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.107148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.107148 (E_RNA) where: Base-Base interactions energy: -5.817 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -16.156978 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -1.810 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: 0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -21.666930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.666930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.666930 (E_RNA) where: Base-Base interactions energy: 0.374 where: short stacking energy: 0.374 Base-Backbone interact. energy: -0.000 local terms energy: -22.041000 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -2.342 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: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -22.825126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.825126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.825126 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.825122 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -4.605 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: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -19.808011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.808011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.808011 (E_RNA) where: Base-Base interactions energy: -0.291 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.008 local terms energy: -19.509651 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -1.588 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: 188 Temperature: 1.200000 Total energy: -21.278559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.278559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.278559 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -21.233336 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -1.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -22.708697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.708697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.708697 (E_RNA) where: Base-Base interactions energy: -4.541 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.164471 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: 0.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -18.377829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.377829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.377829 (E_RNA) where: Base-Base interactions energy: -0.020 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -18.323932 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -4.062 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: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -18.777651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.777651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.777651 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.775624 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -21.991739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.991739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.991739 (E_RNA) where: Base-Base interactions energy: -0.113 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.878470 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -4.406 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: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -23.815076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.815076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.815076 (E_RNA) where: Base-Base interactions energy: -5.538 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -18.264142 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: 1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -24.494835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.494835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.494835 (E_RNA) where: Base-Base interactions energy: -4.627 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.864530 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -3.776 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: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -21.552607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.552607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.552607 (E_RNA) where: Base-Base interactions energy: -4.648 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.174 local terms energy: -16.730350 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.278 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: 2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -22.440836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.440836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.440836 (E_RNA) where: Base-Base interactions energy: -5.510 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -16.918469 where: bonds (distance) C4'-P energy: -2.542 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -20.385666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.385666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.385666 (E_RNA) where: Base-Base interactions energy: -4.627 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -15.660492 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: 1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -20.788948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.788948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.788948 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.788924 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -3.729 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: 8, replica: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -19.757981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.757981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.757981 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.820 local terms energy: -18.937703 where: bonds (distance) C4'-P energy: -2.795 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -3.111 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: 9, replica: 8 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -18.937964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.937964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.937964 (E_RNA) where: Base-Base interactions energy: 0.108 where: short stacking energy: 0.199 Base-Backbone interact. energy: -0.007 local terms energy: -19.038753 where: bonds (distance) C4'-P energy: -5.291 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: 0.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -20.195602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.195602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.195602 (E_RNA) where: Base-Base interactions energy: -0.312 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.370 local terms energy: -20.254166 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -22.472065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.472065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.472065 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.471957 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -23.832095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.832095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.832095 (E_RNA) where: Base-Base interactions energy: -1.891 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.002 local terms energy: -21.938881 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -3.154 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: 3, replica: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -22.415506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.415506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.415506 (E_RNA) where: Base-Base interactions energy: -1.468 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.942357 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -3.497 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: 4, replica: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -21.224726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.224726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.224726 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.224716 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.651 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: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -21.732808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.732808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.732808 (E_RNA) where: Base-Base interactions energy: 0.875 where: short stacking energy: 1.268 Base-Backbone interact. energy: -0.000 local terms energy: -22.607972 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -20.189080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.189080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.189080 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.174850 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -18.827457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.827457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.827457 (E_RNA) where: Base-Base interactions energy: -0.652 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -18.152087 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -1.575 tors. eta vs tors. theta energy: -1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -19.886565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.886565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.886565 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.886535 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -2.976 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: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -19.612177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.612177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.612177 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.607194 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: 0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -20.151950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.151950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.151950 (E_RNA) where: Base-Base interactions energy: -2.167 where: short stacking energy: 0.336 Base-Backbone interact. energy: -0.051 local terms energy: -17.933954 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -3.724 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: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -21.717442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.717442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.717442 (E_RNA) where: Base-Base interactions energy: -1.126 where: short stacking energy: 0.051 Base-Backbone interact. energy: -0.007 local terms energy: -20.584440 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -4.087 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: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -21.617644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.617644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.617644 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.609424 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -4.227 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: 3, replica: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -22.048840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.048840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.048840 (E_RNA) where: Base-Base interactions energy: -1.523 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.525536 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -2.396 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -20.889315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.889315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.889315 (E_RNA) where: Base-Base interactions energy: 0.110 where: short stacking energy: 0.110 Base-Backbone interact. energy: -0.002 local terms energy: -20.996590 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.718 flat angles P-C4'-P energy: -4.797 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: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -21.772538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.772538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.772538 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -21.682014 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.159 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: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -20.628728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.628728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.628728 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.614782 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -19.428963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.428963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.428963 (E_RNA) where: Base-Base interactions energy: -0.583 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -18.825530 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -1.022 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: 8, replica: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -17.779597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.779597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.779597 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -17.766131 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: 0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -21.771257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.771257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.771257 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.771252 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -19.660747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.660747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.660747 (E_RNA) where: Base-Base interactions energy: -5.025 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -14.540707 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.208 flat angles P-C4'-P energy: -3.423 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: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -22.910472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.910472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.910472 (E_RNA) where: Base-Base interactions energy: -2.465 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.444709 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -21.747974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.747974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.747974 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -21.648687 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.451 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: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -21.793850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.793850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.793850 (E_RNA) where: Base-Base interactions energy: -3.601 where: short stacking energy: 0.321 Base-Backbone interact. energy: -0.042 local terms energy: -18.151119 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: 0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -19.859606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.859606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.859606 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.277 local terms energy: -19.582982 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: 0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -20.374024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.374024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.374024 (E_RNA) where: Base-Base interactions energy: 0.163 where: short stacking energy: 0.163 Base-Backbone interact. energy: -0.000 local terms energy: -20.536522 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -2.364 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: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -20.427791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.427791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.427791 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.426944 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -20.408328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.408328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.408328 (E_RNA) where: Base-Base interactions energy: -5.200 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -15.203714 where: bonds (distance) C4'-P energy: -3.163 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: 0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -18.869763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.869763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.869763 (E_RNA) where: Base-Base interactions energy: -5.593 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.117 local terms energy: -13.159590 where: bonds (distance) C4'-P energy: -2.853 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.208 flat angles P-C4'-P energy: -4.172 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: 9, replica: 8 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -20.066358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.066358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.066358 (E_RNA) where: Base-Base interactions energy: 0.944 where: short stacking energy: 0.827 Base-Backbone interact. energy: -0.737 local terms energy: -20.273233 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -3.765 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: 192 Temperature: 1.350000 Total energy: -19.667053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.667053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.667053 (E_RNA) where: Base-Base interactions energy: -1.545 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.121533 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -23.097842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.097842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.097842 (E_RNA) where: Base-Base interactions energy: -4.470 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -18.588365 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -2.111 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: 2, replica: 7 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -20.339593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.339593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.339593 (E_RNA) where: Base-Base interactions energy: -1.553 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.774471 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: 0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -19.837267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.837267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.837267 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -19.755341 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -21.682102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.682102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.682102 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.681525 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -23.609257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.609257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.609257 (E_RNA) where: Base-Base interactions energy: -4.337 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -19.208713 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -4.514 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: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -20.627760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.627760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.627760 (E_RNA) where: Base-Base interactions energy: -5.266 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.278 local terms energy: -15.639489 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -3.557 flat angles P-C4'-P energy: -4.389 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: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -19.016707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.016707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.016707 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -18.988171 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.605 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: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -20.402932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.402932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.402932 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.397751 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -3.751 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: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -20.817135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.817135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.817135 (E_RNA) where: Base-Base interactions energy: -1.505 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.263948 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -2.677 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: 2 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -20.763073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.763073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.763073 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.763005 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -23.102239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.102239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.102239 (E_RNA) where: Base-Base interactions energy: 0.190 where: short stacking energy: 0.190 Base-Backbone interact. energy: -0.000 local terms energy: -23.292498 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -20.620466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.620466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.620466 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.620327 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -22.662158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.662158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.662158 (E_RNA) where: Base-Base interactions energy: 0.898 where: short stacking energy: 0.898 Base-Backbone interact. energy: -0.039 local terms energy: -23.521083 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -20.171408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.171408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.171408 (E_RNA) where: Base-Base interactions energy: -3.475 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -16.650429 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -2.325 tors. eta vs tors. theta energy: -0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -20.178150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.178150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.178150 (E_RNA) where: Base-Base interactions energy: 0.154 where: short stacking energy: 0.154 Base-Backbone interact. energy: -0.058 local terms energy: -20.274128 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -4.731 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: 6, replica: 1 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -21.166909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.166909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.166909 (E_RNA) where: Base-Base interactions energy: -5.584 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -15.531469 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.261 flat angles P-C4'-P energy: -2.831 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: 7, replica: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -20.082934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.082934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.082934 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -20.032654 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.405 flat angles P-C4'-P energy: -4.313 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: 8, replica: 5 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -19.329774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.329774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.329774 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.329746 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -2.622 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: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -18.485263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.485263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.485263 (E_RNA) where: Base-Base interactions energy: -4.871 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.166 local terms energy: -13.448731 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -3.873 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: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -19.852926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.852926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.852926 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.152 local terms energy: -19.700695 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -3.543 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: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -22.858021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.858021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.858021 (E_RNA) where: Base-Base interactions energy: -5.854 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -16.962480 where: bonds (distance) C4'-P energy: -3.933 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -2.782 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: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -23.010251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.010251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.010251 (E_RNA) where: Base-Base interactions energy: -4.888 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -18.084719 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -1.672 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: 3, replica: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -20.945786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.945786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.945786 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.945777 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -19.532125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.532125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.532125 (E_RNA) where: Base-Base interactions energy: -1.709 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.199 local terms energy: -17.624511 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: 0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -20.078841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.078841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.078841 (E_RNA) where: Base-Base interactions energy: 0.066 where: short stacking energy: 0.066 Base-Backbone interact. energy: -0.000 local terms energy: -20.145227 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.074 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -19.639011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.639011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.639011 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -19.577055 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.477 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -18.577668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.577668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.577668 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -18.470432 where: bonds (distance) C4'-P energy: -4.385 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: 0.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -18.922530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.922530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.922530 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -18.872961 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: 0.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -18.871745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.871745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.871745 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -18.753514 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -2.843 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -19.988792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.988792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.988792 (E_RNA) where: Base-Base interactions energy: -2.251 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -17.646480 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -4.061 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: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -22.529210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.529210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.529210 (E_RNA) where: Base-Base interactions energy: -5.546 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -16.879497 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -2.145 tors. eta vs tors. theta energy: 0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -20.400612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.400612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.400612 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.387298 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -20.517587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.517587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.517587 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.517561 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -19.991883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.991883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.991883 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.807 local terms energy: -19.184693 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.985 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -20.459227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.459227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.459227 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.459211 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -4.143 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: 6, replica: 4 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -20.411791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.411791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.411791 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -20.351095 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -20.595852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.595852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.595852 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.593805 where: bonds (distance) C4'-P energy: -3.171 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -19.092998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.092998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.092998 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.092842 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -19.462421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.462421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.462421 (E_RNA) where: Base-Base interactions energy: -0.314 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -19.046722 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -4.171 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: 10, replica: 5 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -19.750889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.750889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.750889 (E_RNA) where: Base-Base interactions energy: 0.251 where: short stacking energy: 0.251 Base-Backbone interact. energy: -0.000 local terms energy: -20.001605 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -24.511571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.511571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.511571 (E_RNA) where: Base-Base interactions energy: -1.869 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -22.620878 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -20.277540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.277540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.277540 (E_RNA) where: Base-Base interactions energy: -2.613 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.138 local terms energy: -17.526300 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.341 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: 3, replica: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -21.415570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.415570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.415570 (E_RNA) where: Base-Base interactions energy: -0.609 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.001 local terms energy: -20.806125 where: bonds (distance) C4'-P energy: -2.791 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -20.423708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.423708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.423708 (E_RNA) where: Base-Base interactions energy: 0.553 where: short stacking energy: 0.553 Base-Backbone interact. energy: 0.016 local terms energy: -20.993512 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -3.593 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: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -21.152869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.152869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.152869 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.147605 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -4.434 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: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -18.706527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.706527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.706527 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -18.612085 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.161 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -20.803302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.803302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.803302 (E_RNA) where: Base-Base interactions energy: -3.171 where: short stacking energy: 0.122 Base-Backbone interact. energy: -0.086 local terms energy: -17.546123 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: 1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -19.633439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.633439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.633439 (E_RNA) where: Base-Base interactions energy: 0.598 where: short stacking energy: 0.598 Base-Backbone interact. energy: -0.012 local terms energy: -20.219339 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -1.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -18.564224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.564224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.564224 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.563541 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: 0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -19.549506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.549506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.549506 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.545664 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: 0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -21.538313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.538313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.538313 (E_RNA) where: Base-Base interactions energy: -0.583 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -20.847042 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -1.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -21.025735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.025735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.025735 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -20.934290 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -21.908394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.908394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.908394 (E_RNA) where: Base-Base interactions energy: -4.814 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.373 local terms energy: -16.721593 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.426 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: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -20.077332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.077332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.077332 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.056748 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -1.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -22.229227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.229227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.229227 (E_RNA) where: Base-Base interactions energy: -5.857 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -16.342543 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.488 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: 1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -21.533270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.533270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.533270 (E_RNA) where: Base-Base interactions energy: -2.308 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.127060 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -19.918870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.918870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.918870 (E_RNA) where: Base-Base interactions energy: -2.403 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -17.413667 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -19.635012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.635012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.635012 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.165 local terms energy: -18.469884 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.564 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: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -19.113300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.113300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.113300 (E_RNA) where: Base-Base interactions energy: -0.183 where: short stacking energy: 0.020 Base-Backbone interact. energy: -0.012 local terms energy: -18.918373 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.603 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -21.903671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.903671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.903671 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.903639 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.287 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: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -21.348058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.348058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.348058 (E_RNA) where: Base-Base interactions energy: -2.396 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -18.890885 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -2.567 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: 2, replica: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -23.613370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.613370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.613370 (E_RNA) where: Base-Base interactions energy: -0.983 where: short stacking energy: 0.110 Base-Backbone interact. energy: -0.001 local terms energy: -22.628856 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -2.701 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: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -21.469254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.469254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.469254 (E_RNA) where: Base-Base interactions energy: -4.685 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -16.701313 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -3.761 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: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -22.110808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.110808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.110808 (E_RNA) where: Base-Base interactions energy: -5.382 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -16.659181 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -2.590 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -4.514 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: 5, replica: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -20.144672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.144672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.144672 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.143 local terms energy: -20.002064 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.460 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: 6, replica: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -19.862899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.862899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.862899 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.294 local terms energy: -19.569389 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -3.676 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: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -19.982106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.982106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.982106 (E_RNA) where: Base-Base interactions energy: -0.309 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.039 local terms energy: -19.634553 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -3.769 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: 8, replica: 5 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -18.644806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.644806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.644806 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.643825 where: bonds (distance) C4'-P energy: -3.660 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -4.380 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: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -18.126065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.126065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.126065 (E_RNA) where: Base-Base interactions energy: -1.213 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -16.859126 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: 2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -18.725414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.725414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.725414 (E_RNA) where: Base-Base interactions energy: -4.629 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -14.079113 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -3.428 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: 200 Temperature: 0.900000 Total energy: -22.732314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.732314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.732314 (E_RNA) where: Base-Base interactions energy: -1.829 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.902150 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -2.855 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: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -23.642426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.642426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.642426 (E_RNA) where: Base-Base interactions energy: -4.231 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.185 local terms energy: -19.226051 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -3.762 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: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -21.761685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.761685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.761685 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -21.721177 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -20.888593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.888593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.888593 (E_RNA) where: Base-Base interactions energy: -5.254 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.292 local terms energy: -15.342407 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -2.709 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: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -21.062722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.062722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.062722 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.062536 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -18.763779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.763779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.763779 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -18.702622 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -3.631 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: 7, replica: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -21.579962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.579962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.579962 (E_RNA) where: Base-Base interactions energy: -0.511 where: short stacking energy: 1.700 Base-Backbone interact. energy: -0.001 local terms energy: -21.067963 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -18.983929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.983929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.983929 (E_RNA) where: Base-Base interactions energy: -4.045 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.286 local terms energy: -14.652764 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -0.694 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: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -19.819670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.819670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.819670 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -19.769162 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: 0.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -18.833834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.833834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.833834 (E_RNA) where: Base-Base interactions energy: -4.304 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -14.522098 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: 2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -21.872557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.872557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.872557 (E_RNA) where: Base-Base interactions energy: -1.930 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.942716 where: bonds (distance) C4'-P energy: -3.718 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -2.325 tors. eta vs tors. theta energy: -3.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -22.159156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.159156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.159156 (E_RNA) where: Base-Base interactions energy: -1.822 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.334367 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -0.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -22.349867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.349867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.349867 (E_RNA) where: Base-Base interactions energy: -1.567 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -20.770571 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -3.451 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: 4, replica: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -22.267382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.267382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.267382 (E_RNA) where: Base-Base interactions energy: 0.686 where: short stacking energy: 0.686 Base-Backbone interact. energy: -0.093 local terms energy: -22.860460 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -20.208441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.208441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.208441 (E_RNA) where: Base-Base interactions energy: -6.485 where: short stacking energy: 0.176 Base-Backbone interact. energy: -0.018 local terms energy: -13.705856 where: bonds (distance) C4'-P energy: -3.163 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.792 flat angles P-C4'-P energy: -3.105 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: 6, replica: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -21.116913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.116913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.116913 (E_RNA) where: Base-Base interactions energy: -4.319 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.699975 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: 1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -20.064664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.064664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.064664 (E_RNA) where: Base-Base interactions energy: 0.440 where: short stacking energy: 0.440 Base-Backbone interact. energy: -0.329 local terms energy: -20.176316 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -2.442 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: 8, replica: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -18.990603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.990603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.990603 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.990131 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -19.700686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.700686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.700686 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.418 local terms energy: -19.282584 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: 0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -19.327883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.327883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.327883 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.367 local terms energy: -18.961278 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: 1.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -21.767363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.767363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.767363 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.767333 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -2.746 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: 2, replica: 8 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -21.777385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.777385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.777385 (E_RNA) where: Base-Base interactions energy: 1.300 where: short stacking energy: 1.300 Base-Backbone interact. energy: -0.047 local terms energy: -23.029925 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -20.845495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.845495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.845495 (E_RNA) where: Base-Base interactions energy: -0.469 where: short stacking energy: 0.041 Base-Backbone interact. energy: -0.072 local terms energy: -20.304168 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -21.786993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.786993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.786993 (E_RNA) where: Base-Base interactions energy: 0.102 where: short stacking energy: 0.102 Base-Backbone interact. energy: -0.026 local terms energy: -21.862894 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -21.765358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.765358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.765358 (E_RNA) where: Base-Base interactions energy: -1.566 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -20.175617 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: 0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -21.168871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.168871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.168871 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -21.133948 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.216 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: 7, replica: 1 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -21.674877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.674877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.674877 (E_RNA) where: Base-Base interactions energy: -3.713 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -17.944959 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -19.324301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.324301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.324301 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.307281 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -19.438902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.438902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.438902 (E_RNA) where: Base-Base interactions energy: 0.108 where: short stacking energy: 0.108 Base-Backbone interact. energy: -0.063 local terms energy: -19.483655 where: bonds (distance) C4'-P energy: -3.072 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.190 flat angles P-C4'-P energy: -3.762 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: 10, replica: 6 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -20.738021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.738021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.738021 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.737828 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -21.490449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.490449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.490449 (E_RNA) where: Base-Base interactions energy: -3.896 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.023 local terms energy: -17.571875 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.897 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: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -19.939822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.939822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.939822 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.932257 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -4.409 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: 3, replica: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -21.166864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.166864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.166864 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.165043 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -3.710 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: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -18.859932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.859932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.859932 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -18.810018 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.322 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: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -21.230142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.230142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.230142 (E_RNA) where: Base-Base interactions energy: -4.113 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.116430 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -2.466 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: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -20.476113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.476113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.476113 (E_RNA) where: Base-Base interactions energy: -4.345 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -16.053415 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: 2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -20.568916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.568916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.568916 (E_RNA) where: Base-Base interactions energy: -5.317 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -15.139226 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.512 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: 2.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -19.687802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.687802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.687802 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.684810 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: 0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -19.294876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.294876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.294876 (E_RNA) where: Base-Base interactions energy: 0.603 where: short stacking energy: 0.603 Base-Backbone interact. energy: -0.010 local terms energy: -19.888060 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.409 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -19.794147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.794147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.794147 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.793618 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -0.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -21.299948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.299948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.299948 (E_RNA) where: Base-Base interactions energy: -0.933 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -20.328383 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -4.635 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: 2, replica: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -22.652086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.652086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.652086 (E_RNA) where: Base-Base interactions energy: 0.311 where: short stacking energy: 0.311 Base-Backbone interact. energy: -0.000 local terms energy: -22.963120 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -22.944639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.944639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.944639 (E_RNA) where: Base-Base interactions energy: -2.413 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.531511 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -20.050759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.050759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.050759 (E_RNA) where: Base-Base interactions energy: -1.778 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -18.191162 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: 0.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -23.561813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.561813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.561813 (E_RNA) where: Base-Base interactions energy: -4.144 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.298 local terms energy: -19.120194 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.098 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: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -20.307987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.307987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.307987 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -20.274959 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -20.813721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.813721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.813721 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.809736 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.609 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: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -19.328698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.328698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.328698 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.316968 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.107 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: 9, replica: 6 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -21.075225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.075225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.075225 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.075215 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.941 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: 3 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -18.607021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.607021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.607021 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -18.502377 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.538 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: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -22.486943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.486943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.486943 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.486936 where: bonds (distance) C4'-P energy: -4.601 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -21.884452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.884452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.884452 (E_RNA) where: Base-Base interactions energy: -4.876 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -16.897869 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -4.158 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: 205 Temperature: 1.000000 Total energy: -24.326243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.326243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.326243 (E_RNA) where: Base-Base interactions energy: -6.177 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -18.081557 where: bonds (distance) C4'-P energy: -4.013 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -4.908 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: 4, replica: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -20.872682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.872682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.872682 (E_RNA) where: Base-Base interactions energy: -5.360 where: short stacking energy: 0.892 Base-Backbone interact. energy: -0.020 local terms energy: -15.492867 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -2.808 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -20.345853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.345853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.345853 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -20.300885 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -21.077904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.077904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.077904 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.077902 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -4.056 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: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -20.575463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.575463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.575463 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.571766 where: bonds (distance) C4'-P energy: -3.591 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -18.695815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.695815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.695815 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.690407 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: 0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -18.927223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.927223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.927223 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.925631 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: 0.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -21.329412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.329412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.329412 (E_RNA) where: Base-Base interactions energy: -4.875 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -16.444201 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.715 flat angles P-C4'-P energy: -1.631 tors. eta vs tors. theta energy: 0.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -21.089740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.089740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.089740 (E_RNA) where: Base-Base interactions energy: -1.263 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.047 local terms energy: -19.779361 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.316 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: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -19.765089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.765089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.765089 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -19.731176 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.687 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -24.140305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.140305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.140305 (E_RNA) where: Base-Base interactions energy: -4.286 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -19.843119 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -3.480 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: 4, replica: 2 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -22.500253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.500253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.500253 (E_RNA) where: Base-Base interactions energy: -5.296 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -17.194926 where: bonds (distance) C4'-P energy: -3.002 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: 0.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -20.348278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.348278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.348278 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.347837 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -22.290026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.290026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.290026 (E_RNA) where: Base-Base interactions energy: -5.681 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.024 local terms energy: -16.632650 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: 0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -18.726353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.726353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.726353 (E_RNA) where: Base-Base interactions energy: -2.969 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -15.742591 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -2.358 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: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -23.607946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.607946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.607946 (E_RNA) where: Base-Base interactions energy: -4.949 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -18.555588 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: 1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -19.186162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.186162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.186162 (E_RNA) where: Base-Base interactions energy: -3.327 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.352 local terms energy: -15.507496 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -3.774 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: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -18.877806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.877806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.877806 (E_RNA) where: Base-Base interactions energy: -4.518 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.186 local terms energy: -14.174380 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -3.500 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: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -20.644406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.644406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.644406 (E_RNA) where: Base-Base interactions energy: -4.133 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -16.418503 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: 1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -23.812673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.812673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.812673 (E_RNA) where: Base-Base interactions energy: -5.556 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.464 local terms energy: -17.793052 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: 1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -22.016967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.016967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.016967 (E_RNA) where: Base-Base interactions energy: -5.941 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.120 local terms energy: -15.955495 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: 2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -21.047270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.047270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.047270 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -21.020640 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -4.486 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: 5, replica: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -19.704365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.704365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.704365 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -19.671098 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.356 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -1.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -22.764085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.764085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.764085 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.284 local terms energy: -22.479899 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.683 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: 7, replica: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -21.176621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.176621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.176621 (E_RNA) where: Base-Base interactions energy: -3.601 where: short stacking energy: 0.406 Base-Backbone interact. energy: -0.606 local terms energy: -16.969504 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: 0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -21.480780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.480780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.480780 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.028 local terms energy: -20.753119 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: -1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -18.651310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.651310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.651310 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.001 local terms energy: -18.750636 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -1.326 tors. eta vs tors. theta energy: -3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -20.100782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.100782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.100782 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.096841 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -0.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -22.112465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.112465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.112465 (E_RNA) where: Base-Base interactions energy: -4.398 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.172 local terms energy: -17.542635 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: 2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -20.748157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.748157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.748157 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.074 local terms energy: -21.074483 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -2.804 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: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -19.903999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.903999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.903999 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.903353 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.517 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: 4, replica: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -19.207202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.207202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.207202 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -19.179502 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -21.963390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.963390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.963390 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.963355 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -3.569 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -19.870198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.870198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.870198 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.870194 where: bonds (distance) C4'-P energy: -2.994 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -4.656 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: 3 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -19.887015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.887015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.887015 (E_RNA) where: Base-Base interactions energy: -5.897 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -13.955928 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -2.455 flat angles P-C4'-P energy: -3.269 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: 8, replica: 8 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -23.594134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.594134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.594134 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -16.590421 where: bonds (distance) C4'-P energy: -2.497 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: 0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -19.488201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.488201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.488201 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.485512 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -20.785035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.785035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.785035 (E_RNA) where: Base-Base interactions energy: -1.703 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.266 local terms energy: -18.816085 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -23.795400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.795400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.795400 (E_RNA) where: Base-Base interactions energy: -4.695 where: short stacking energy: 0.083 Base-Backbone interact. energy: -0.008 local terms energy: -19.092092 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.048 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -22.414997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.414997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.414997 (E_RNA) where: Base-Base interactions energy: -5.726 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -16.631414 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.918 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: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -24.529935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.529935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.529935 (E_RNA) where: Base-Base interactions energy: -4.572 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.456 local terms energy: -19.502796 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: 0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -21.267008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.267008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.267008 (E_RNA) where: Base-Base interactions energy: -3.058 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.157 local terms energy: -18.051602 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -2.856 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: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -19.999945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.999945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.999945 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.899878 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.096 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: 6, replica: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -20.123856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.123856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.123856 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.123733 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.716 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: 7, replica: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -21.212919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.212919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.212919 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.212918 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -3.812 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: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -21.091003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.091003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.091003 (E_RNA) where: Base-Base interactions energy: 1.400 where: short stacking energy: 1.400 Base-Backbone interact. energy: -0.000 local terms energy: -22.490997 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -20.938921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.938921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.938921 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -20.863231 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.607 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: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -19.619851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.619851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.619851 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.599235 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -22.258819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.258819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.258819 (E_RNA) where: Base-Base interactions energy: -2.188 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -20.001758 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.038 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: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -22.028414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.028414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.028414 (E_RNA) where: Base-Base interactions energy: -1.489 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.347 local terms energy: -20.193113 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -3.261 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: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -23.217338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.217338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.217338 (E_RNA) where: Base-Base interactions energy: -4.064 where: short stacking energy: 0.111 Base-Backbone interact. energy: -0.002 local terms energy: -19.151053 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -2.166 flat angles P-C4'-P energy: -3.537 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: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -22.852641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.852641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.852641 (E_RNA) where: Base-Base interactions energy: -5.830 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -16.913420 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.065 flat angles P-C4'-P energy: -3.874 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: 5, replica: 3 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -20.773533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.773533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.773533 (E_RNA) where: Base-Base interactions energy: -4.492 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.416 local terms energy: -15.865792 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -3.611 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: 6, replica: 10 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -20.833750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.833750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.833750 (E_RNA) where: Base-Base interactions energy: 0.076 where: short stacking energy: 0.076 Base-Backbone interact. energy: -0.015 local terms energy: -20.895031 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -4.427 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: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -21.088222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.088222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.088222 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.188222 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -3.286 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -19.551044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.551044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.551044 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.550996 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -3.296 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -3.929 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: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -17.901221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.901221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.901221 (E_RNA) where: Base-Base interactions energy: -1.687 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.160 local terms energy: -16.053416 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -1.403 flat angles P-C4'-P energy: -3.114 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: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -19.143647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.143647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.143647 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.141254 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.581 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -22.052203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.052203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.052203 (E_RNA) where: Base-Base interactions energy: -1.984 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -20.046910 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: -3.493 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: 2, replica: 6 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -22.323464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.323464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.323464 (E_RNA) where: Base-Base interactions energy: -1.792 where: short stacking energy: 0.848 Base-Backbone interact. energy: -0.008 local terms energy: -20.523382 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -1.669 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: 3, replica: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -20.360130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.360130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.360130 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -20.266636 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: 0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -21.709196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.709196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.709196 (E_RNA) where: Base-Base interactions energy: -6.906 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.186 local terms energy: -14.616630 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.699 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: 3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -21.993257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.993257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.993257 (E_RNA) where: Base-Base interactions energy: -1.365 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.000 local terms energy: -20.628136 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -3.595 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: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -20.662287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.662287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.662287 (E_RNA) where: Base-Base interactions energy: -1.571 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.090675 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.284 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -20.808332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.808332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.808332 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.808331 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -18.779755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.779755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.779755 (E_RNA) where: Base-Base interactions energy: 1.944 where: short stacking energy: 1.944 Base-Backbone interact. energy: -0.002 local terms energy: -20.722027 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.771 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: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -19.989350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.989350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.989350 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.968829 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -3.877 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: 10, replica: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -17.325903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.325903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.325903 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -17.296856 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -2.809 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: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -23.810007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.810007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.810007 (E_RNA) where: Base-Base interactions energy: -7.063 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -16.711954 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -3.847 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: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -21.861923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.861923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.861923 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -21.845184 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -4.202 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: 3, replica: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -21.014344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.014344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.014344 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -20.892751 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -22.804788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.804788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.804788 (E_RNA) where: Base-Base interactions energy: -4.767 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -17.912933 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: 0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -20.592466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.592466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.592466 (E_RNA) where: Base-Base interactions energy: -1.811 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -18.752241 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -3.947 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: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -22.939863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.939863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.939863 (E_RNA) where: Base-Base interactions energy: -3.182 where: short stacking energy: 0.032 Base-Backbone interact. energy: -0.000 local terms energy: -19.757781 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -18.073400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.073400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.073400 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -18.048003 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.915 flat angles P-C4'-P energy: -4.044 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: 8, replica: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -19.661514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.661514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.661514 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.655312 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -0.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -18.475615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.475615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.475615 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.473832 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -3.910 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: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -18.539824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.539824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.539824 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.538973 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -22.027756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.027756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.027756 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.418 local terms energy: -21.609473 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.389 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -23.309854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.309854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.309854 (E_RNA) where: Base-Base interactions energy: -5.732 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -17.479158 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.084 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: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -21.597950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.597950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.597950 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.597943 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -2.836 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: 4, replica: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -20.949106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.949106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.949106 (E_RNA) where: Base-Base interactions energy: -4.618 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -16.299537 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -4.099 tors. eta vs tors. theta energy: 1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -18.377346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.377346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.377346 (E_RNA) where: Base-Base interactions energy: 0.230 where: short stacking energy: 0.230 Base-Backbone interact. energy: -0.037 local terms energy: -18.569955 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -20.275858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.275858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.275858 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.275829 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -1.729 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -20.111686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.111686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.111686 (E_RNA) where: Base-Base interactions energy: 0.104 where: short stacking energy: 0.104 Base-Backbone interact. energy: -0.001 local terms energy: -20.214429 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -21.541894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.541894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.541894 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.021 local terms energy: -22.021043 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -3.876 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: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -18.952504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.952504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.952504 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.215 local terms energy: -18.737897 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -19.920158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.920158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.920158 (E_RNA) where: Base-Base interactions energy: -2.314 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.530 local terms energy: -17.075899 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: -2.733 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -22.367839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.367839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.367839 (E_RNA) where: Base-Base interactions energy: -1.207 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -21.160073 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -22.177701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.177701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.177701 (E_RNA) where: Base-Base interactions energy: -5.092 where: short stacking energy: 0.174 Base-Backbone interact. energy: -0.053 local terms energy: -17.032361 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: 2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -22.274170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.274170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.274170 (E_RNA) where: Base-Base interactions energy: 0.606 where: short stacking energy: 0.606 Base-Backbone interact. energy: -0.000 local terms energy: -22.880586 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -4.001 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: 4, replica: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -19.005201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.005201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.005201 (E_RNA) where: Base-Base interactions energy: -1.194 where: short stacking energy: 0.103 Base-Backbone interact. energy: -0.031 local terms energy: -17.780050 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.918 flat angles P-C4'-P energy: -2.081 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -21.217643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.217643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.217643 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.217186 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -3.488 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: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -22.630896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.630896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.630896 (E_RNA) where: Base-Base interactions energy: -5.487 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -17.116799 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: 0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -22.075089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.075089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.075089 (E_RNA) where: Base-Base interactions energy: -4.974 where: short stacking energy: 0.183 Base-Backbone interact. energy: -0.003 local terms energy: -17.098048 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -3.348 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: 8, replica: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -17.866742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.866742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.866742 (E_RNA) where: Base-Base interactions energy: -2.278 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -15.535587 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.790 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: 2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -20.978278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.978278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.978278 (E_RNA) where: Base-Base interactions energy: -2.236 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.742109 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: 0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -22.373135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.373135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.373135 (E_RNA) where: Base-Base interactions energy: -3.450 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.046 local terms energy: -18.877229 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -3.947 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: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -20.472126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.472126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.472126 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -20.428361 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -20.189856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.189856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.189856 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.183752 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -4.097 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: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -20.219628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.219628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.219628 (E_RNA) where: Base-Base interactions energy: -0.221 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.998714 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -19.631164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.631164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.631164 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -19.508238 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: 1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -20.194224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.194224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.194224 (E_RNA) where: Base-Base interactions energy: -1.259 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.002 local terms energy: -18.933413 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -4.665 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: 6, replica: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -21.786766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.786766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.786766 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -21.720121 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -20.827771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.827771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.827771 (E_RNA) where: Base-Base interactions energy: 0.292 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -21.060492 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -20.577330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.577330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.577330 (E_RNA) where: Base-Base interactions energy: -2.307 where: short stacking energy: 0.138 Base-Backbone interact. energy: -0.156 local terms energy: -18.114929 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -2.609 tors. eta vs tors. theta energy: -1.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -19.653063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.653063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.653063 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.649051 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: 0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -20.501607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.501607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.501607 (E_RNA) where: Base-Base interactions energy: 0.804 where: short stacking energy: 0.804 Base-Backbone interact. energy: -0.000 local terms energy: -21.306088 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -4.467 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: 1, replica: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -22.460170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.460170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.460170 (E_RNA) where: Base-Base interactions energy: -5.310 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.964 local terms energy: -16.186057 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -3.428 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: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -23.517247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.517247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.517247 (E_RNA) where: Base-Base interactions energy: -1.198 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -22.286121 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -21.372135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.372135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.372135 (E_RNA) where: Base-Base interactions energy: -4.411 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -16.934240 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -4.255 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: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -20.294913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.294913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.294913 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.294912 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: 0.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -20.994996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.994996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.994996 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.994842 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -4.560 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: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -20.645896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.645896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.645896 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.231 local terms energy: -20.414470 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -4.591 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: 7, replica: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -21.095951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.095951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.095951 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -21.081755 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.176 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: 8, replica: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -21.243764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.243764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.243764 (E_RNA) where: Base-Base interactions energy: -4.633 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.608057 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: 0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -20.954707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.954707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.954707 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.032 local terms energy: -20.986579 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -18.393671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.393671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.393671 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.392435 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -21.646255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.646255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.646255 (E_RNA) where: Base-Base interactions energy: 0.078 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.798 local terms energy: -20.926029 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -21.385890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.385890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.385890 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -21.373278 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -21.380775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.380775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.380775 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.888 local terms energy: -19.492490 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.493 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: 4, replica: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -22.220886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.220886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.220886 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -22.216929 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -4.665 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: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -20.035505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.035505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.035505 (E_RNA) where: Base-Base interactions energy: -2.327 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.186 local terms energy: -17.522408 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: 1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -19.475982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.475982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.475982 (E_RNA) where: Base-Base interactions energy: 0.486 where: short stacking energy: 0.486 Base-Backbone interact. energy: -0.109 local terms energy: -19.852994 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -0.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -19.906004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.906004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.906004 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.901152 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -0.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -20.182098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.182098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.182098 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.083162 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: 0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -18.297898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.297898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.297898 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.294057 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.815 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -0.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -19.246489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.246489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.246489 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.246478 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.761 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -21.732158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.732158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.732158 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -21.725180 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -4.904 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: 2, replica: 2 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -19.441258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.441258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.441258 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -19.404881 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: 0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -21.981243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.981243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.981243 (E_RNA) where: Base-Base interactions energy: -5.643 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -16.283266 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: 1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -22.018732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.018732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.018732 (E_RNA) where: Base-Base interactions energy: -5.192 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -16.806084 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.414 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: 1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -20.274022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.274022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.274022 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.505 local terms energy: -19.768726 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -20.359109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.359109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.359109 (E_RNA) where: Base-Base interactions energy: -1.548 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.798919 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -19.244499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.244499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.244499 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.244499 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.580 flat angles P-C4'-P energy: -4.334 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: 8, replica: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -21.056209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.056209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.056209 (E_RNA) where: Base-Base interactions energy: -4.424 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -16.625038 where: bonds (distance) C4'-P energy: -3.002 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -1.949 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -18.401176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.401176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.401176 (E_RNA) where: Base-Base interactions energy: 0.397 where: short stacking energy: 0.397 Base-Backbone interact. energy: -0.000 local terms energy: -18.797743 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: 0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -18.562689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.562689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.562689 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -18.540599 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: 0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -23.578145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.578145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.578145 (E_RNA) where: Base-Base interactions energy: 1.220 where: short stacking energy: 1.220 Base-Backbone interact. energy: -0.001 local terms energy: -24.797708 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -4.417 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: 219 Temperature: 0.950000 Total energy: -20.317469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.317469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.317469 (E_RNA) where: Base-Base interactions energy: -6.303 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -13.849622 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.301 flat angles P-C4'-P energy: -2.404 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: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -21.989822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.989822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.989822 (E_RNA) where: Base-Base interactions energy: -0.948 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.042260 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -3.411 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: 4, replica: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -20.590242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.590242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.590242 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.231 local terms energy: -19.359364 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -19.464856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.464856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.464856 (E_RNA) where: Base-Base interactions energy: -1.401 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.063337 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.551 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: 6, replica: 10 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -19.967646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.967646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.967646 (E_RNA) where: Base-Base interactions energy: -0.458 where: short stacking energy: 0.200 Base-Backbone interact. energy: 0.152 local terms energy: -19.661713 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -19.190602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.190602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.190602 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -19.067891 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: 0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -19.589436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.589436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.589436 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.505 local terms energy: -19.084719 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: 1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -20.227141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.227141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.227141 (E_RNA) where: Base-Base interactions energy: 0.060 where: short stacking energy: 0.060 Base-Backbone interact. energy: -0.012 local terms energy: -20.274386 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -3.923 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: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -19.651613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.651613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.651613 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -19.528829 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -21.118185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.118185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.118185 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.118185 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -2.475 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -22.275730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.275730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.275730 (E_RNA) where: Base-Base interactions energy: 0.134 where: short stacking energy: 0.134 Base-Backbone interact. energy: -0.000 local terms energy: -22.409764 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -23.570893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.570893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.570893 (E_RNA) where: Base-Base interactions energy: -5.230 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -18.258513 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -2.214 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -20.557505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.557505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.557505 (E_RNA) where: Base-Base interactions energy: -2.439 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -18.022224 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.626 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: 10 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -23.778944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.778944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.778944 (E_RNA) where: Base-Base interactions energy: -5.835 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -17.938391 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.076 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: 220 Temperature: 1.150000 Total energy: -19.966980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.966980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.966980 (E_RNA) where: Base-Base interactions energy: 0.479 where: short stacking energy: 0.000 Base-Backbone interact. energy: -3.012 local terms energy: -17.434037 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -4.416 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: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -23.663085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.663085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.663085 (E_RNA) where: Base-Base interactions energy: -6.008 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -17.620150 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -4.068 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: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -21.211029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.211029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.211029 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -21.160717 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -19.938079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.938079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.938079 (E_RNA) where: Base-Base interactions energy: -2.055 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -17.703503 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -3.345 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: 10, replica: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -19.453105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.453105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.453105 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.447091 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: 0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -21.145005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.145005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.145005 (E_RNA) where: Base-Base interactions energy: -3.859 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -17.234669 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -2.432 tors. eta vs tors. theta energy: 0.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -22.249633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.249633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.249633 (E_RNA) where: Base-Base interactions energy: -4.991 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -17.228954 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: 1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -21.963261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.963261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.963261 (E_RNA) where: Base-Base interactions energy: -2.291 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -19.620078 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -4.293 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: 4, replica: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -24.355787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.355787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.355787 (E_RNA) where: Base-Base interactions energy: -1.895 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.460586 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -1.787 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -20.258961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.258961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.258961 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.191 local terms energy: -20.068103 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -23.897255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.897255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.897255 (E_RNA) where: Base-Base interactions energy: -5.377 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.512180 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.020 flat angles P-C4'-P energy: -3.674 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: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -19.661026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.661026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.661026 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.660792 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.593 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: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -19.505126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.505126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.505126 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.504893 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: 0.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -19.219312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.219312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.219312 (E_RNA) where: Base-Base interactions energy: -5.541 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -13.608321 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -0.474 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: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -19.680516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.680516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.680516 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.383 local terms energy: -18.297878 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: 0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -20.521990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.521990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.521990 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -20.490542 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -1.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -21.308422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.308422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.308422 (E_RNA) where: Base-Base interactions energy: -4.123 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -17.171527 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -4.140 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: 3, replica: 10 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -20.024485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.024485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.024485 (E_RNA) where: Base-Base interactions energy: -4.032 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -15.950216 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -2.177 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: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -21.610836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.610836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.610836 (E_RNA) where: Base-Base interactions energy: -0.307 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -21.212755 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.265 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: 5, replica: 5 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -21.510718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.510718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.510718 (E_RNA) where: Base-Base interactions energy: -1.006 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.453 local terms energy: -20.051012 where: bonds (distance) C4'-P energy: -2.799 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -3.822 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: 6, replica: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -20.633658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.633658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.633658 (E_RNA) where: Base-Base interactions energy: -0.705 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.926362 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: -1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -18.859852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.859852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.859852 (E_RNA) where: Base-Base interactions energy: -1.648 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -17.140586 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: 0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -19.258119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.258119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.258119 (E_RNA) where: Base-Base interactions energy: -4.574 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -14.631740 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.174 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: 2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -19.039745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.039745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.039745 (E_RNA) where: Base-Base interactions energy: 0.049 where: short stacking energy: 0.049 Base-Backbone interact. energy: -0.001 local terms energy: -19.087579 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -18.112361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.112361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.112361 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -18.081634 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: 0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -21.949968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.949968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.949968 (E_RNA) where: Base-Base interactions energy: -2.017 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -19.856377 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.275 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: 2, replica: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -20.861637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.861637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.861637 (E_RNA) where: Base-Base interactions energy: -4.574 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.150 local terms energy: -16.137953 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -3.296 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: 1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -20.804135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.804135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.804135 (E_RNA) where: Base-Base interactions energy: 0.233 where: short stacking energy: 0.233 Base-Backbone interact. energy: -0.000 local terms energy: -21.037249 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -1.457 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -21.395196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.395196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.395196 (E_RNA) where: Base-Base interactions energy: -2.576 where: short stacking energy: 0.473 Base-Backbone interact. energy: -0.004 local terms energy: -18.815636 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.589 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: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -20.810877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.810877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.810877 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.810877 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -4.464 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: 6, replica: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -19.906026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.906026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.906026 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.906026 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -1.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -19.656671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.656671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.656671 (E_RNA) where: Base-Base interactions energy: -2.144 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -17.512563 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -2.838 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: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -19.360530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.360530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.360530 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.339675 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -21.513657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.513657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.513657 (E_RNA) where: Base-Base interactions energy: -0.738 where: short stacking energy: 0.938 Base-Backbone interact. energy: -0.004 local terms energy: -20.770857 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -4.235 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: 10, replica: 6 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -18.098144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.098144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.098144 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.709 local terms energy: -17.388799 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: 1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -22.679193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.679193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.679193 (E_RNA) where: Base-Base interactions energy: -5.398 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -17.271030 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: 0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -21.391723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.391723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.391723 (E_RNA) where: Base-Base interactions energy: -4.599 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.693999 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: 1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -21.575512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.575512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.575512 (E_RNA) where: Base-Base interactions energy: -3.493 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.116 local terms energy: -17.966656 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: 0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -19.259582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.259582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.259582 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -19.239594 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: 0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -22.182127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.182127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.182127 (E_RNA) where: Base-Base interactions energy: 0.900 where: short stacking energy: 0.900 Base-Backbone interact. energy: -0.056 local terms energy: -23.025818 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.300 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: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -20.429264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.429264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.429264 (E_RNA) where: Base-Base interactions energy: -5.470 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -14.904225 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.192 flat angles P-C4'-P energy: -3.100 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: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -18.743356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.743356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.743356 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -18.646172 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: 0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -21.026282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.026282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.026282 (E_RNA) where: Base-Base interactions energy: -1.920 where: short stacking energy: 0.249 Base-Backbone interact. energy: -0.000 local terms energy: -19.106115 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -3.392 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: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -18.493030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.493030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.493030 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.492692 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -18.907507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.907507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.907507 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.900781 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.136 flat angles P-C4'-P energy: -4.449 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: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -23.784286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.784286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.784286 (E_RNA) where: Base-Base interactions energy: -2.832 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.952039 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -1.183 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: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -25.536475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.536475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.536475 (E_RNA) where: Base-Base interactions energy: -6.621 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.464 local terms energy: -18.452095 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: 0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -21.080177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.080177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.080177 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.080125 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -3.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -20.545810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.545810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.545810 (E_RNA) where: Base-Base interactions energy: -3.253 where: short stacking energy: 0.900 Base-Backbone interact. energy: -0.549 local terms energy: -16.744062 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: 1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -19.954662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.954662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.954662 (E_RNA) where: Base-Base interactions energy: -1.584 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -18.289911 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: 2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -20.127045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.127045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.127045 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.127032 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.667 flat angles P-C4'-P energy: -4.353 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: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -19.211522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.211522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.211522 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -19.187059 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.294 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: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -19.042153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.042153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.042153 (E_RNA) where: Base-Base interactions energy: -1.145 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -17.799337 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -4.428 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: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -22.450378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.450378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.450378 (E_RNA) where: Base-Base interactions energy: -0.875 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.151 local terms energy: -20.423763 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.309 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: 6 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -17.976690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.976690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.976690 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -17.866217 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -1.686 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: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -23.353099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.353099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.353099 (E_RNA) where: Base-Base interactions energy: -4.708 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.641975 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -2.019 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: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -26.169105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.169105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.169105 (E_RNA) where: Base-Base interactions energy: -5.491 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -20.637541 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -4.196 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: 3, replica: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -20.608800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.608800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.608800 (E_RNA) where: Base-Base interactions energy: -5.795 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -14.734449 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -3.684 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: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -19.549213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.549213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.549213 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -19.497683 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -22.105773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.105773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.105773 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.598 local terms energy: -21.507967 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -21.013027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.013027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.013027 (E_RNA) where: Base-Base interactions energy: -2.859 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.191 local terms energy: -17.962860 where: bonds (distance) C4'-P energy: -3.542 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -19.689859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.689859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.689859 (E_RNA) where: Base-Base interactions energy: -2.560 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -17.004208 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: 1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -20.941150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.941150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.941150 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.850965 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.036 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: 6 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -19.249379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.249379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.249379 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -19.235230 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -19.335516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.335516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.335516 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.330585 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: -2.169 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: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -24.212222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.212222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.212222 (E_RNA) where: Base-Base interactions energy: -5.315 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -18.813868 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -20.538350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.538350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.538350 (E_RNA) where: Base-Base interactions energy: -3.545 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.895265 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: 0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -21.515400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.515400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.515400 (E_RNA) where: Base-Base interactions energy: -0.954 where: short stacking energy: 0.085 Base-Backbone interact. energy: -0.075 local terms energy: -20.486310 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -4.495 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: 4, replica: 1 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -20.895693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.895693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.895693 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -20.820497 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -4.342 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: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -20.873246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.873246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.873246 (E_RNA) where: Base-Base interactions energy: -2.592 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.281272 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -2.437 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -21.059404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.059404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.059404 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -20.962845 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -3.842 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: 7, replica: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -20.766447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.766447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.766447 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.762917 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: -2.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -22.697841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.697841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.697841 (E_RNA) where: Base-Base interactions energy: -5.388 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -17.248911 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -3.239 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: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -20.015345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.015345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.015345 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.015210 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -19.386362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.386362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.386362 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -19.235468 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -4.449 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: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -20.988426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.988426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.988426 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.888050 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -4.928 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: 2, replica: 3 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -20.955438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.955438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.955438 (E_RNA) where: Base-Base interactions energy: -4.224 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -16.647032 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: 1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -21.871481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.871481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.871481 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.971323 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -23.716278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.716278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.716278 (E_RNA) where: Base-Base interactions energy: -4.924 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -18.684558 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -4.668 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: 5, replica: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -20.891073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.891073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.891073 (E_RNA) where: Base-Base interactions energy: 0.074 where: short stacking energy: 0.074 Base-Backbone interact. energy: -1.128 local terms energy: -19.836733 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: 0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -20.161732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.161732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.161732 (E_RNA) where: Base-Base interactions energy: -2.858 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -17.258646 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: 0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -20.826924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.826924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.826924 (E_RNA) where: Base-Base interactions energy: -1.665 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.161024 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -3.730 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: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -20.570690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.570690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.570690 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -20.553980 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.325 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: 9, replica: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -18.525837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.525837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.525837 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -18.461238 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: 0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -19.458538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.458538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.458538 (E_RNA) where: Base-Base interactions energy: 0.030 where: short stacking energy: 1.142 Base-Backbone interact. energy: -0.003 local terms energy: -19.486100 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -24.018278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.018278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.018278 (E_RNA) where: Base-Base interactions energy: -7.355 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.158 local terms energy: -16.506004 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -1.442 tors. eta vs tors. theta energy: 0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -22.510287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.510287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.510287 (E_RNA) where: Base-Base interactions energy: -4.936 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -17.465696 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: 1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -21.195671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.195671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.195671 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.195619 where: bonds (distance) C4'-P energy: -4.306 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -2.524 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: 4, replica: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -20.999444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.999444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.999444 (E_RNA) where: Base-Base interactions energy: -1.160 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -19.839305 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -3.015 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: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -19.249353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.249353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.249353 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.248745 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: 0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -21.947385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.947385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.947385 (E_RNA) where: Base-Base interactions energy: -6.296 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.184 local terms energy: -15.466988 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -0.971 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: 7, replica: 7 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -20.465390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.465390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.465390 (E_RNA) where: Base-Base interactions energy: 1.200 where: short stacking energy: 1.200 Base-Backbone interact. energy: -0.096 local terms energy: -21.568899 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -4.094 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: 8, replica: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -19.890992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.890992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.890992 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.890946 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -20.046598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.046598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.046598 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.815 local terms energy: -19.231200 where: bonds (distance) C4'-P energy: -4.546 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -21.370608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.370608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.370608 (E_RNA) where: Base-Base interactions energy: 0.210 where: short stacking energy: 0.210 Base-Backbone interact. energy: -0.090 local terms energy: -21.491519 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -2.216 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: 1, replica: 1 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -20.804226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.804226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.804226 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -20.715044 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -20.334799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.334799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.334799 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.334199 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -21.418722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.418722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.418722 (E_RNA) where: Base-Base interactions energy: -0.479 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.155 local terms energy: -19.784537 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.647 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: 4, replica: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -20.655415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.655415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.655415 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.655405 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -22.929418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.929418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.929418 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.929281 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -20.078480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.078480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.078480 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.078423 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -2.587 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: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -20.790132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.790132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.790132 (E_RNA) where: Base-Base interactions energy: 0.577 where: short stacking energy: 0.577 Base-Backbone interact. energy: -0.000 local terms energy: -21.366899 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -18.423939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.423939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.423939 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.422630 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -1.757 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -19.764530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.764530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.764530 (E_RNA) where: Base-Base interactions energy: -0.506 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.255855 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -0.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -19.444233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.444233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.444233 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.444233 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -3.600 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: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -22.579741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.579741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.579741 (E_RNA) where: Base-Base interactions energy: -1.071 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.053 local terms energy: -20.456602 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -4.618 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: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -20.768415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.768415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.768415 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -20.723428 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -21.410400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.410400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.410400 (E_RNA) where: Base-Base interactions energy: -1.470 where: short stacking energy: 0.142 Base-Backbone interact. energy: -0.000 local terms energy: -19.940611 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.005 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: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -22.350048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.350048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.350048 (E_RNA) where: Base-Base interactions energy: -3.144 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.157770 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: 0.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -21.109272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.109272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.109272 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.105873 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -20.606334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.606334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.606334 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.591694 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -19.491708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.491708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.491708 (E_RNA) where: Base-Base interactions energy: -0.401 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.083284 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.003 flat angles P-C4'-P energy: -3.195 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: 8 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -19.434565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.434565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.434565 (E_RNA) where: Base-Base interactions energy: -0.523 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.905377 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -20.098766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.098766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.098766 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -20.037410 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -3.138 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: 10, replica: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -18.968112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.968112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.968112 (E_RNA) where: Base-Base interactions energy: -2.726 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.073 local terms energy: -15.168875 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.895 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: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -20.894071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.894071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.894071 (E_RNA) where: Base-Base interactions energy: -1.903 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -18.931994 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.451 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: 2, replica: 1 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -20.915238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.915238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.915238 (E_RNA) where: Base-Base interactions energy: -6.196 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -14.686458 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: 3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -23.628762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.628762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.628762 (E_RNA) where: Base-Base interactions energy: -5.715 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -17.814232 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -4.011 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: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -20.428380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.428380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.428380 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -20.375109 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -22.363644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.363644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.363644 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -22.311142 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -22.199908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.199908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.199908 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.199887 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.239 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: 7, replica: 8 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -19.809071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.809071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.809071 (E_RNA) where: Base-Base interactions energy: 0.076 where: short stacking energy: 0.076 Base-Backbone interact. energy: -0.000 local terms energy: -19.884408 where: bonds (distance) C4'-P energy: -4.066 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -21.339990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.339990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.339990 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.339989 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -3.378 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: 9, replica: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -19.541824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.541824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.541824 (E_RNA) where: Base-Base interactions energy: -3.483 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.135 local terms energy: -15.923184 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -2.809 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: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -19.441866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.441866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.441866 (E_RNA) where: Base-Base interactions energy: -1.888 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -17.549884 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -3.530 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: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -20.833582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.833582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.833582 (E_RNA) where: Base-Base interactions energy: 0.528 where: short stacking energy: 0.528 Base-Backbone interact. energy: -0.001 local terms energy: -21.361297 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.528 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: 2, replica: 6 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -25.236673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.236673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.236673 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -25.236667 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -3.592 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: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -20.973014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.973014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.973014 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.192 local terms energy: -20.781132 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.132 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -20.836798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.836798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.836798 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -20.738856 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -19.874450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.874450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.874450 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -19.819350 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -2.083 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: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -20.224706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.224706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.224706 (E_RNA) where: Base-Base interactions energy: -4.682 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -15.392529 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -3.160 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: 3 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -21.124429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.124429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.124429 (E_RNA) where: Base-Base interactions energy: 0.049 where: short stacking energy: 0.309 Base-Backbone interact. energy: -0.048 local terms energy: -21.125009 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -19.338501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.338501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.338501 (E_RNA) where: Base-Base interactions energy: -5.486 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.156 local terms energy: -13.696689 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -1.292 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: 9, replica: 10 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -19.685901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.685901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.685901 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.685266 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -4.760 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: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -18.837082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.837082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.837082 (E_RNA) where: Base-Base interactions energy: -5.101 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.188 local terms energy: -13.548860 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -1.832 tors. eta vs tors. theta energy: 1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -23.711227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.711227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.711227 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.711184 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -4.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -21.672186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.672186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.672186 (E_RNA) where: Base-Base interactions energy: -3.773 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -17.877842 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -2.651 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: 3, replica: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -20.677312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.677312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.677312 (E_RNA) where: Base-Base interactions energy: 0.365 where: short stacking energy: 0.365 Base-Backbone interact. energy: -0.093 local terms energy: -20.949845 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -3.799 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: 4, replica: 1 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -20.954923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.954923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.954923 (E_RNA) where: Base-Base interactions energy: -4.836 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -16.065508 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: 0.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -20.913286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.913286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.913286 (E_RNA) where: Base-Base interactions energy: -1.125 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.788054 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -2.855 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: 6, replica: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -22.744261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.744261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.744261 (E_RNA) where: Base-Base interactions energy: -4.721 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -17.972510 where: bonds (distance) C4'-P energy: -4.012 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -19.943542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.943542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.943542 (E_RNA) where: Base-Base interactions energy: -3.853 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -16.055917 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -2.196 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: 8, replica: 3 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -19.815497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.815497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.815497 (E_RNA) where: Base-Base interactions energy: 0.999 where: short stacking energy: 0.999 Base-Backbone interact. energy: -0.100 local terms energy: -20.714461 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.860 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -2.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -19.005945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.005945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.005945 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.005412 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -3.356 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: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -17.958059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.958059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.958059 (E_RNA) where: Base-Base interactions energy: -0.495 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -17.446056 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: 2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -21.723525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.723525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.723525 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -21.635003 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -4.589 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: 2, replica: 9 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -22.591294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.591294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.591294 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -22.585437 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -21.036671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.036671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.036671 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -21.003245 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -22.084645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.084645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.084645 (E_RNA) where: Base-Base interactions energy: -2.981 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.101549 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -20.223251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.223251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.223251 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.223242 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.812 flat angles P-C4'-P energy: -4.187 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: 6, replica: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -19.478278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.478278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.478278 (E_RNA) where: Base-Base interactions energy: -4.152 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -15.297422 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.733 flat angles P-C4'-P energy: -2.499 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: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -21.181212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.181212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.181212 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.181196 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -3.615 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: 8, replica: 7 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -20.321956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.321956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.321956 (E_RNA) where: Base-Base interactions energy: 0.001 where: short stacking energy: 0.001 Base-Backbone interact. energy: -0.771 local terms energy: -19.551811 where: bonds (distance) C4'-P energy: -3.242 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -19.187934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.187934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.187934 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.176084 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -19.020850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.020850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.020850 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.673 local terms energy: -18.347537 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: 1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -22.701208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.701208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.701208 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.781 local terms energy: -21.919840 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -4.752 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: 2, replica: 9 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -21.105496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.105496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.105496 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.099595 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -3.457 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: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -22.118772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.118772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.118772 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.118710 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -20.583413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.583413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.583413 (E_RNA) where: Base-Base interactions energy: -2.574 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.394 local terms energy: -17.615165 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: -2.819 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: 5, replica: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -19.813672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.813672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.813672 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -19.728913 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: 1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -21.715995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.715995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.715995 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -21.613924 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.166 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: 7, replica: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -20.287665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.287665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.287665 (E_RNA) where: Base-Base interactions energy: -1.559 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.734 local terms energy: -17.995063 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -2.558 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: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -20.676090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.676090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.676090 (E_RNA) where: Base-Base interactions energy: 0.197 where: short stacking energy: 0.197 Base-Backbone interact. energy: -0.004 local terms energy: -20.868420 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -19.713890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.713890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.713890 (E_RNA) where: Base-Base interactions energy: -6.717 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -12.882194 where: bonds (distance) C4'-P energy: -1.901 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -4.251 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: 10, replica: 3 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -21.477098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.477098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.477098 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.477083 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -4.653 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: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -23.259438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.259438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.259438 (E_RNA) where: Base-Base interactions energy: -1.968 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.228 local terms energy: -21.063479 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -22.302612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.302612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.302612 (E_RNA) where: Base-Base interactions energy: -5.962 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -16.261281 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -4.409 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: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -22.003503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.003503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.003503 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.000314 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.664 flat angles P-C4'-P energy: -4.722 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: 5 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -19.725115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.725115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.725115 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -19.708997 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -20.971384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.971384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.971384 (E_RNA) where: Base-Base interactions energy: -2.379 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.208 local terms energy: -18.384485 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -4.911 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: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -19.143029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.143029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.143029 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.142576 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -20.608671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.608671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.608671 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.592740 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -4.128 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: 8, replica: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -20.040366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.040366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.040366 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -19.943294 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -3.818 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: 9, replica: 4 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -18.541902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.541902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.541902 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -18.444920 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -1.941 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -21.223316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.223316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.223316 (E_RNA) where: Base-Base interactions energy: -1.830 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.388396 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.117 flat angles P-C4'-P energy: -3.464 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: 1, replica: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -21.014144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.014144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.014144 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.014051 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -20.864725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.864725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.864725 (E_RNA) where: Base-Base interactions energy: 0.027 where: short stacking energy: 0.027 Base-Backbone interact. energy: -0.000 local terms energy: -20.891649 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: 0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -21.394136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.394136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.394136 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.390391 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -22.965871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.965871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.965871 (E_RNA) where: Base-Base interactions energy: -4.882 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.530 local terms energy: -17.553841 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: 0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -19.366098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.366098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.366098 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -19.233024 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.081 flat angles P-C4'-P energy: -4.127 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: 6, replica: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -21.155129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.155129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.155129 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.155122 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -20.403767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.403767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.403767 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.403496 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: 0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -19.865596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.865596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.865596 (E_RNA) where: Base-Base interactions energy: 0.394 where: short stacking energy: 0.394 Base-Backbone interact. energy: -0.032 local terms energy: -20.227736 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -19.877958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.877958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.877958 (E_RNA) where: Base-Base interactions energy: -0.309 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -19.569169 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -2.155 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: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -18.464669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.464669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.464669 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -18.449088 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: 0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -23.716804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.716804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.716804 (E_RNA) where: Base-Base interactions energy: -5.196 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.132 local terms energy: -18.389431 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.080 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: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -20.842089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.842089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.842089 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.129 local terms energy: -20.713581 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.239 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: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -21.942878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.942878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.942878 (E_RNA) where: Base-Base interactions energy: -5.873 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -15.981370 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.144 flat angles P-C4'-P energy: -4.300 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: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -20.601818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.601818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.601818 (E_RNA) where: Base-Base interactions energy: -3.034 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -17.489856 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.458 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: 0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -19.910978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.910978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.910978 (E_RNA) where: Base-Base interactions energy: -5.382 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -14.416552 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -2.024 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: 6, replica: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -22.037302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.037302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.037302 (E_RNA) where: Base-Base interactions energy: -4.094 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.349 local terms energy: -17.593716 where: bonds (distance) C4'-P energy: -3.225 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -3.458 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: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -20.829232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.829232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.829232 (E_RNA) where: Base-Base interactions energy: -2.560 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.203 local terms energy: -18.066041 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -3.173 flat angles C4'-P-C4' energy: -2.421 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -21.484201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.484201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.484201 (E_RNA) where: Base-Base interactions energy: -5.646 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -15.831660 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -3.753 flat angles P-C4'-P energy: -2.685 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: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -21.393719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.393719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.393719 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -21.361040 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -4.238 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: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -19.359548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.359548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.359548 (E_RNA) where: Base-Base interactions energy: 0.103 where: short stacking energy: 0.103 Base-Backbone interact. energy: -0.007 local terms energy: -19.455969 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.190 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: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -21.813772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.813772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.813772 (E_RNA) where: Base-Base interactions energy: -4.797 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -16.904423 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: 2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -22.323893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.323893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.323893 (E_RNA) where: Base-Base interactions energy: -4.994 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -17.267201 where: bonds (distance) C4'-P energy: -3.056 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -19.641316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.641316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.641316 (E_RNA) where: Base-Base interactions energy: -1.964 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.677081 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -2.317 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: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -24.823121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.823121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.823121 (E_RNA) where: Base-Base interactions energy: -5.333 where: short stacking energy: 0.006 Base-Backbone interact. energy: -0.010 local terms energy: -19.479339 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -2.615 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: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -21.637792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.637792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.637792 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -21.589411 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.435 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: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -20.166552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.166552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.166552 (E_RNA) where: Base-Base interactions energy: -5.397 where: short stacking energy: 0.100 Base-Backbone interact. energy: 0.066 local terms energy: -14.835699 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: 2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -19.318317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.318317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.318317 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.312211 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -4.232 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: 8, replica: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -19.836020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.836020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.836020 (E_RNA) where: Base-Base interactions energy: 0.315 where: short stacking energy: 0.315 Base-Backbone interact. energy: -0.001 local terms energy: -20.149695 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -2.870 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: 9, replica: 4 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -19.840617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.840617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.840617 (E_RNA) where: Base-Base interactions energy: -4.036 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.253 local terms energy: -15.550965 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -2.643 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: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -18.203420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.203420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.203420 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.017 local terms energy: -18.486760 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -2.860 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -1.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -22.744557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.744557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.744557 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -22.703267 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.858 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: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -25.651396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.651396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.651396 (E_RNA) where: Base-Base interactions energy: -4.648 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.007 local terms energy: -20.996267 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -21.031595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.031595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.031595 (E_RNA) where: Base-Base interactions energy: -1.518 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -19.448079 where: bonds (distance) C4'-P energy: -4.062 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.976 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: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -21.085558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.085558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.085558 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.983 local terms energy: -20.102852 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -3.931 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: 5, replica: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -21.561472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.561472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.561472 (E_RNA) where: Base-Base interactions energy: 0.112 where: short stacking energy: 0.112 Base-Backbone interact. energy: -0.003 local terms energy: -21.669582 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -4.362 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: 6, replica: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -21.638058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.638058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.638058 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.638053 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -21.265258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.265258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.265258 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -21.243979 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -18.162406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.162406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.162406 (E_RNA) where: Base-Base interactions energy: -0.930 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -17.090557 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: 2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -20.504346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.504346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.504346 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.260 local terms energy: -20.244434 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.786 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -18.595392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.595392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.595392 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.588255 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -2.957 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: 1, replica: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -21.292881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.292881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.292881 (E_RNA) where: Base-Base interactions energy: -2.348 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.943899 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: 0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -20.632674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.632674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.632674 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.209 local terms energy: -20.424003 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -3.537 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: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -23.083203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.083203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.083203 (E_RNA) where: Base-Base interactions energy: -1.495 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.588500 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.042 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: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -22.196260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.196260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.196260 (E_RNA) where: Base-Base interactions energy: -2.828 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.368229 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -1.819 tors. eta vs tors. theta energy: -1.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -19.625746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.625746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.625746 (E_RNA) where: Base-Base interactions energy: 0.704 where: short stacking energy: 0.104 Base-Backbone interact. energy: -0.543 local terms energy: -19.786961 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -20.828837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.828837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.828837 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -20.769439 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.753 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: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -20.580683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.580683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.580683 (E_RNA) where: Base-Base interactions energy: 0.055 where: short stacking energy: 0.055 Base-Backbone interact. energy: -0.002 local terms energy: -20.632879 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -3.796 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: 8, replica: 9 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -19.236988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.236988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.236988 (E_RNA) where: Base-Base interactions energy: 0.361 where: short stacking energy: 0.361 Base-Backbone interact. energy: -0.018 local terms energy: -19.580668 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -19.944396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.944396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.944396 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -19.914240 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -19.256719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.256719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.256719 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.189 local terms energy: -19.067363 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -26.483487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.483487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.483487 (E_RNA) where: Base-Base interactions energy: -5.342 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.201 local terms energy: -20.940999 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -21.267186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.267186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.267186 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.267150 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -21.427483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.427483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.427483 (E_RNA) where: Base-Base interactions energy: 0.093 where: short stacking energy: 0.093 Base-Backbone interact. energy: -0.001 local terms energy: -21.519722 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -21.209746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.209746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.209746 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -21.180579 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -20.740685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.740685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.740685 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -20.698009 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -0.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -20.587948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.587948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.587948 (E_RNA) where: Base-Base interactions energy: -4.138 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.382 local terms energy: -16.068475 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.208 flat angles C4'-P-C4' energy: -2.966 flat angles P-C4'-P energy: -3.643 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: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -20.335603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.335603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.335603 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.335535 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -2.149 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -21.612763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.612763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.612763 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.612713 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -2.671 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -22.723252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.723252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.723252 (E_RNA) where: Base-Base interactions energy: -5.155 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.413 local terms energy: -17.155010 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -4.154 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: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -19.042688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.042688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.042688 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -19.024698 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: 0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -23.459891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.459891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.459891 (E_RNA) where: Base-Base interactions energy: -4.603 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.006 local terms energy: -18.851517 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -22.729389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.729389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.729389 (E_RNA) where: Base-Base interactions energy: -5.927 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.613 local terms energy: -16.189367 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -4.055 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: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -23.166922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.166922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.166922 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -23.148175 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -22.020555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.020555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.020555 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -21.973792 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -19.424102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.424102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.424102 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.423818 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: 0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -20.372421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.372421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.372421 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.372351 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -4.713 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: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -20.234018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.234018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.234018 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.227500 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -4.220 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: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -19.644205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.644205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.644205 (E_RNA) where: Base-Base interactions energy: 1.426 where: short stacking energy: 1.426 Base-Backbone interact. energy: -0.042 local terms energy: -21.028192 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.693 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: 9, replica: 2 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -19.664616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.664616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.664616 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.458 Base-Backbone interact. energy: -0.000 local terms energy: -19.688118 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.216 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -19.620729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.620729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.620729 (E_RNA) where: Base-Base interactions energy: -2.022 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.596803 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.609 flat angles P-C4'-P energy: -3.478 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: 1, replica: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -21.043218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.043218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.043218 (E_RNA) where: Base-Base interactions energy: -5.537 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -15.498180 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -2.538 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: 2, replica: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -22.115577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.115577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.115577 (E_RNA) where: Base-Base interactions energy: -8.813 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -13.231308 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -2.934 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: 3, replica: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -20.788227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.788227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.788227 (E_RNA) where: Base-Base interactions energy: -5.119 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.273 local terms energy: -15.395893 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -2.083 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: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -20.574394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.574394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.574394 (E_RNA) where: Base-Base interactions energy: -4.756 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -15.817633 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -2.915 tors. eta vs tors. theta energy: 2.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -22.293769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.293769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.293769 (E_RNA) where: Base-Base interactions energy: -0.349 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -21.848864 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.662 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -1.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -19.127401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.127401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.127401 (E_RNA) where: Base-Base interactions energy: -3.777 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.343 local terms energy: -15.007641 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.629 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: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -18.829763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.829763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.829763 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -18.803376 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: 1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -19.585314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.585314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.585314 (E_RNA) where: Base-Base interactions energy: 0.057 where: short stacking energy: 0.057 Base-Backbone interact. energy: 0.045 local terms energy: -19.687030 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -4.130 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: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -18.949343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.949343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.949343 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -18.894793 where: bonds (distance) C4'-P energy: -3.196 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -20.126216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.126216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.126216 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -19.992817 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -21.648053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.648053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.648053 (E_RNA) where: Base-Base interactions energy: -2.214 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.433545 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.686 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: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -22.800908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.800908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.800908 (E_RNA) where: Base-Base interactions energy: -1.743 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.057455 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -20.949554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.949554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.949554 (E_RNA) where: Base-Base interactions energy: -3.034 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -17.904410 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -3.322 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: 4, replica: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -22.047074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.047074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.047074 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -21.969506 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -20.643874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.643874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.643874 (E_RNA) where: Base-Base interactions energy: -1.830 where: short stacking energy: 0.687 Base-Backbone interact. energy: -0.124 local terms energy: -18.689403 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -3.477 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: 6, replica: 10 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -24.286848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.286848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.286848 (E_RNA) where: Base-Base interactions energy: -2.869 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.416745 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -4.760 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: 7, replica: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -19.415979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.415979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.415979 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -19.335569 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.405 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: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -20.109444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.109444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.109444 (E_RNA) where: Base-Base interactions energy: -1.323 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -18.773066 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -20.047994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.047994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.047994 (E_RNA) where: Base-Base interactions energy: 0.071 where: short stacking energy: 0.071 Base-Backbone interact. energy: -0.000 local terms energy: -20.118935 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -20.535110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.535110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.535110 (E_RNA) where: Base-Base interactions energy: 0.163 where: short stacking energy: 0.163 Base-Backbone interact. energy: -0.100 local terms energy: -20.597908 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -23.438026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.438026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.438026 (E_RNA) where: Base-Base interactions energy: 0.670 where: short stacking energy: 0.670 Base-Backbone interact. energy: -0.000 local terms energy: -24.108104 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -22.989481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.989481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.989481 (E_RNA) where: Base-Base interactions energy: -3.790 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -19.179975 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -20.534675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.534675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.534675 (E_RNA) where: Base-Base interactions energy: -0.064 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.449185 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -20.256585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.256585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.256585 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.249478 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.102 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: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -20.072775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.072775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.072775 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.063839 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -20.369920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.369920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.369920 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.271336 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -19.774043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.774043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.774043 (E_RNA) where: Base-Base interactions energy: -4.936 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.140 local terms energy: -14.698164 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -2.727 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: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -19.652587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.652587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.652587 (E_RNA) where: Base-Base interactions energy: 0.784 where: short stacking energy: 1.508 Base-Backbone interact. energy: -0.310 local terms energy: -20.126063 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -20.521582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.521582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.521582 (E_RNA) where: Base-Base interactions energy: -0.795 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -19.691045 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -3.877 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: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -18.755346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.755346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.755346 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -18.734610 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -2.656 tors. eta vs tors. theta energy: -0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -23.324142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.324142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.324142 (E_RNA) where: Base-Base interactions energy: -2.539 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.784763 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.179 flat angles P-C4'-P energy: -4.505 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: 2, replica: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -24.361747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.361747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.361747 (E_RNA) where: Base-Base interactions energy: -4.163 where: short stacking energy: 0.260 Base-Backbone interact. energy: -0.389 local terms energy: -19.809588 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -19.874248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.874248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.874248 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.054 local terms energy: -17.523392 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: 0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -20.990984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.990984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.990984 (E_RNA) where: Base-Base interactions energy: -0.553 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.478 local terms energy: -19.959823 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -4.798 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: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -22.041142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.041142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.041142 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.041078 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -19.529558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.529558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.529558 (E_RNA) where: Base-Base interactions energy: -5.943 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.147 local terms energy: -13.439568 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -0.830 flat angles P-C4'-P energy: -3.426 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: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -18.818422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.818422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.818422 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -18.800363 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: 0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -18.958584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.958584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.958584 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.938754 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -2.968 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: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -21.707759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.707759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.707759 (E_RNA) where: Base-Base interactions energy: -4.134 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -17.540247 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -1.278 tors. eta vs tors. theta energy: -0.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -20.027691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.027691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.027691 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.027513 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -2.671 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: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -21.082084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.082084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.082084 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -21.070107 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -0.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -20.227403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.227403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.227403 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -20.129360 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -21.783709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.783709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.783709 (E_RNA) where: Base-Base interactions energy: -2.795 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -18.948328 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -0.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -20.193527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.193527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.193527 (E_RNA) where: Base-Base interactions energy: -2.566 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -17.528795 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -3.677 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -20.753116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.753116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.753116 (E_RNA) where: Base-Base interactions energy: -5.154 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -15.471777 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: 2.955 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: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -21.157128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.157128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.157128 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -21.140119 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -2.446 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: 249 Temperature: 1.200000 Total energy: -21.032005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.032005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.032005 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.031607 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -20.218125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.218125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.218125 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.218121 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: 0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -20.012687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.012687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.012687 (E_RNA) where: Base-Base interactions energy: -0.141 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -19.803524 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.306 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: 10, replica: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -18.786503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.786503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.786503 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.782647 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: 0.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -20.634195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.634195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.634195 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.634051 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -4.342 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: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -21.320117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.320117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.320117 (E_RNA) where: Base-Base interactions energy: -1.398 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.915895 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: -3.731 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: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -21.652315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.652315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.652315 (E_RNA) where: Base-Base interactions energy: -5.809 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -15.706812 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -2.074 tors. eta vs tors. theta energy: 2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -21.310613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.310613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.310613 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.310595 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -4.477 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: 5, replica: 9 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -19.912755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.912755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.912755 (E_RNA) where: Base-Base interactions energy: 0.141 where: short stacking energy: 0.141 Base-Backbone interact. energy: -0.000 local terms energy: -20.053808 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -2.716 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -21.997846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.997846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.997846 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.997823 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.187 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: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -19.989025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.989025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.989025 (E_RNA) where: Base-Base interactions energy: -1.328 where: short stacking energy: 0.598 Base-Backbone interact. energy: -0.003 local terms energy: -18.657889 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.476 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -19.972481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.972481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.972481 (E_RNA) where: Base-Base interactions energy: -3.153 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.234 local terms energy: -16.585283 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: 3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -20.891696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.891696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.891696 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -20.812378 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -21.839360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.839360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.839360 (E_RNA) where: Base-Base interactions energy: -4.279 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.559384 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: 2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -22.268175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.268175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.268175 (E_RNA) where: Base-Base interactions energy: -5.452 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -16.692787 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: 1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -21.710360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.710360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.710360 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.710356 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -21.443614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.443614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.443614 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.435958 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -22.435381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.435381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.435381 (E_RNA) where: Base-Base interactions energy: -1.616 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -20.768313 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -2.971 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: 3 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -20.660547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.660547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.660547 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.656186 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -22.205202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.205202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.205202 (E_RNA) where: Base-Base interactions energy: -3.988 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.183 local terms energy: -18.034324 where: bonds (distance) C4'-P energy: -3.955 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: 0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -18.867335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.867335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.867335 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.740 local terms energy: -18.127387 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.950 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: 8, replica: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -19.620513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.620513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.620513 (E_RNA) where: Base-Base interactions energy: -2.500 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -16.981616 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: 1.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -20.490674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.490674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.490674 (E_RNA) where: Base-Base interactions energy: -2.339 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -18.123196 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: 1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -19.836766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.836766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.836766 (E_RNA) where: Base-Base interactions energy: -1.157 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.771 local terms energy: -17.908464 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -2.637 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: 1, replica: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -21.095228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.095228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.095228 (E_RNA) where: Base-Base interactions energy: -3.710 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.113 local terms energy: -16.272883 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -22.814166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.814166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.814166 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.814138 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -20.825577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.825577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.825577 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.825574 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.375 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -20.651489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.651489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.651489 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -20.566541 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -4.167 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: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -23.461556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.461556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.461556 (E_RNA) where: Base-Base interactions energy: -5.540 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -17.865129 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: 2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -19.633449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.633449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.633449 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -19.617434 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -20.742595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.742595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.742595 (E_RNA) where: Base-Base interactions energy: -5.646 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.140 local terms energy: -14.956638 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: 0.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -20.584009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.584009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.584009 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.583845 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -20.090792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.090792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.090792 (E_RNA) where: Base-Base interactions energy: -0.995 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -19.036434 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -4.309 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: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -19.518314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.518314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.518314 (E_RNA) where: Base-Base interactions energy: -4.161 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.368 local terms energy: -14.989830 where: bonds (distance) C4'-P energy: -2.274 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.508 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: 1, replica: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -22.957654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.957654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.957654 (E_RNA) where: Base-Base interactions energy: -1.779 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.178539 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.034 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: 2, replica: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -22.953553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.953553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.953553 (E_RNA) where: Base-Base interactions energy: -5.116 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.172 local terms energy: -17.666318 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -2.865 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: 3, replica: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -22.205645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.205645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.205645 (E_RNA) where: Base-Base interactions energy: -4.735 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -17.421170 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -3.452 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: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -20.564825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.564825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.564825 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.564547 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -1.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -20.245238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.245238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.245238 (E_RNA) where: Base-Base interactions energy: -4.478 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -15.664837 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -2.711 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: 6, replica: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -21.638696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.638696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.638696 (E_RNA) where: Base-Base interactions energy: -4.781 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.027 local terms energy: -16.884622 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -3.839 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: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -20.965016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.965016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.965016 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.190 local terms energy: -20.774915 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -4.475 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: 8, replica: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -19.425687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.425687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.425687 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.157 local terms energy: -19.269128 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -19.767366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.767366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.767366 (E_RNA) where: Base-Base interactions energy: 0.125 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -19.810100 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: 0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -20.225864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.225864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.225864 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.225072 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -22.253399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.253399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.253399 (E_RNA) where: Base-Base interactions energy: -0.378 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.031 local terms energy: -21.907178 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -4.675 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: 2, replica: 9 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -21.176569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.176569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.176569 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -21.105255 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -0.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -23.916588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.916588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.916588 (E_RNA) where: Base-Base interactions energy: -4.903 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -18.915622 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -3.841 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: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -20.095823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.095823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.095823 (E_RNA) where: Base-Base interactions energy: -2.784 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.022 local terms energy: -17.290529 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: 1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -19.782506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.782506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.782506 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.781462 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -2.572 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: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -21.003025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.003025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.003025 (E_RNA) where: Base-Base interactions energy: 0.017 where: short stacking energy: 0.017 Base-Backbone interact. energy: -0.000 local terms energy: -21.020146 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -19.935214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.935214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.935214 (E_RNA) where: Base-Base interactions energy: -2.066 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -17.842377 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: -0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -18.880148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.880148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.880148 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.880135 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.700 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: 9, replica: 4 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -20.603912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.603912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.603912 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.178 local terms energy: -19.426146 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: 0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -18.507722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.507722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.507722 (E_RNA) where: Base-Base interactions energy: -5.367 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -13.094504 where: bonds (distance) C4'-P energy: -3.917 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -1.289 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: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -23.180707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.180707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.180707 (E_RNA) where: Base-Base interactions energy: -5.369 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -17.699530 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: 1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -21.474426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.474426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.474426 (E_RNA) where: Base-Base interactions energy: -3.280 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.256 local terms energy: -17.938152 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -2.982 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: 3, replica: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -21.378529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.378529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.378529 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.378313 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -22.268612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.268612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.268612 (E_RNA) where: Base-Base interactions energy: -2.311 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -19.856665 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -20.589433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.589433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.589433 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.589383 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -20.327845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.327845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.327845 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.327607 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -2.232 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -20.137554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.137554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.137554 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.047327 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: 0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -20.015350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.015350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.015350 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -19.911117 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -18.952840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.952840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.952840 (E_RNA) where: Base-Base interactions energy: 0.078 where: short stacking energy: 0.078 Base-Backbone interact. energy: -0.001 local terms energy: -19.030174 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: 0.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -20.047455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.047455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.047455 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.047438 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.101 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: 1, replica: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -21.277032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.277032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.277032 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.495 local terms energy: -20.782134 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.827 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: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -23.337748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.337748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.337748 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.771 local terms energy: -22.566472 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -4.560 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: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -21.903290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.903290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.903290 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.902540 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -19.334097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.334097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.334097 (E_RNA) where: Base-Base interactions energy: 0.144 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.189 local terms energy: -19.289556 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.403 flat angles P-C4'-P energy: -4.304 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: 5, replica: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -19.229722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.229722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.229722 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.228573 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -4.287 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: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -21.395321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.395321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.395321 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -21.322922 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -3.991 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: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -21.741262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.741262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.741262 (E_RNA) where: Base-Base interactions energy: -4.210 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -17.453165 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -0.603 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: 8, replica: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -18.852859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.852859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.852859 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -18.756593 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -3.903 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: 9, replica: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -19.481393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.481393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.481393 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.480018 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -4.469 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: 10, replica: 3 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -18.147520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.147520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.147520 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.145622 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -4.257 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: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -21.138945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.138945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.138945 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.138944 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -1.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -20.913542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.913542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.913542 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.611 local terms energy: -20.302681 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -21.172591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.172591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.172591 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.172529 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -4.063 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: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -21.195973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.195973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.195973 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.307 local terms energy: -21.088520 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -20.990510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.990510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.990510 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.017 local terms energy: -19.973791 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: 1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -21.523954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.523954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.523954 (E_RNA) where: Base-Base interactions energy: -4.780 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.483 local terms energy: -16.261371 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -2.508 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: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -23.241251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.241251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.241251 (E_RNA) where: Base-Base interactions energy: -2.563 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -20.553599 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -3.568 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: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -21.369057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.369057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.369057 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.363969 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -18.571496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.571496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.571496 (E_RNA) where: Base-Base interactions energy: -0.818 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -17.711485 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.258 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -18.366460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.366460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.366460 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.359 local terms energy: -18.007291 where: bonds (distance) C4'-P energy: -3.987 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -3.105 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: 8 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -22.412192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.412192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.412192 (E_RNA) where: Base-Base interactions energy: 0.056 where: short stacking energy: 0.056 Base-Backbone interact. energy: -0.000 local terms energy: -22.468229 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -24.292935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.292935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.292935 (E_RNA) where: Base-Base interactions energy: -1.967 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -22.203899 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -3.940 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: 3, replica: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -22.067150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.067150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.067150 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.706 local terms energy: -21.360950 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -22.498758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.498758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.498758 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -22.457983 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -4.376 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: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -21.837114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.837114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.837114 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -21.738274 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -21.016883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.016883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.016883 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -20.967347 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -19.235616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.235616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.235616 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.220880 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: 1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -19.407128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.407128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.407128 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -19.315645 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -19.592307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.592307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.592307 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.583196 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: 0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -18.927453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.927453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.927453 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -18.908475 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -2.588 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -20.580932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.580932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.580932 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.010 local terms energy: -20.971416 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -4.523 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: 2, replica: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -21.077216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.077216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.077216 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -20.988083 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -4.179 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: 3, replica: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -24.735270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.735270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.735270 (E_RNA) where: Base-Base interactions energy: -5.985 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -18.640473 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: 0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -22.011794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.011794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.011794 (E_RNA) where: Base-Base interactions energy: -3.152 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.847537 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -4.158 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: 5, replica: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -20.120406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.120406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.120406 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.120336 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -3.351 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: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -21.189358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.189358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.189358 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -21.108527 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -20.817546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.817546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.817546 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.758 local terms energy: -20.059409 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -23.092181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.092181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.092181 (E_RNA) where: Base-Base interactions energy: -5.997 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.162 local terms energy: -16.933246 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -1.785 tors. eta vs tors. theta energy: 0.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -19.293875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.293875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.293875 (E_RNA) where: Base-Base interactions energy: 0.125 where: short stacking energy: 0.125 Base-Backbone interact. energy: -0.628 local terms energy: -18.790335 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -4.950 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: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -18.832637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.832637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.832637 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.825034 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -22.712075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.712075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.712075 (E_RNA) where: Base-Base interactions energy: -5.024 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -17.685523 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -4.342 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: 2, replica: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -22.452133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.452133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.452133 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -22.447986 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -21.190724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.190724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.190724 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.190270 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -3.727 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: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -20.429052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.429052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.429052 (E_RNA) where: Base-Base interactions energy: -4.992 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -15.426589 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -2.198 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: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -22.892692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.892692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.892692 (E_RNA) where: Base-Base interactions energy: -1.459 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -21.390894 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -4.342 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: 6, replica: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -24.642940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.642940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.642940 (E_RNA) where: Base-Base interactions energy: -5.980 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -18.588038 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -20.045159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.045159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.045159 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.045130 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -3.392 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: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -22.216088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.216088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.216088 (E_RNA) where: Base-Base interactions energy: 0.575 where: short stacking energy: 0.575 Base-Backbone interact. energy: -0.091 local terms energy: -22.699481 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.903 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: 9, replica: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -18.935532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.935532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.935532 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -18.893739 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.329 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: 0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -18.101192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.101192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.101192 (E_RNA) where: Base-Base interactions energy: -2.581 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.248 local terms energy: -15.272322 where: bonds (distance) C4'-P energy: -3.395 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: 2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -21.467333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.467333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.467333 (E_RNA) where: Base-Base interactions energy: -1.159 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.218667 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.276 flat angles P-C4'-P energy: -3.855 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: 2, replica: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -21.060063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.060063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.060063 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.058488 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -0.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -20.501038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.501038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.501038 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -20.430547 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.030 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: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -21.059740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.059740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.059740 (E_RNA) where: Base-Base interactions energy: -1.032 where: short stacking energy: 0.663 Base-Backbone interact. energy: -0.379 local terms energy: -19.648594 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -1.573 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -20.894000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.894000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.894000 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.890468 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -4.645 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: 6, replica: 9 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -21.710406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.710406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.710406 (E_RNA) where: Base-Base interactions energy: 0.161 where: short stacking energy: 0.043 Base-Backbone interact. energy: -2.517 local terms energy: -19.354781 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -22.004264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.004264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.004264 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -21.990223 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -20.610802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.610802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.610802 (E_RNA) where: Base-Base interactions energy: -4.740 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -15.865206 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -2.458 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -18.629517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.629517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.629517 (E_RNA) where: Base-Base interactions energy: -3.446 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -15.030092 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -2.770 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: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -20.593991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.593991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.593991 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.274 local terms energy: -20.868142 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.656 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: 1, replica: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -20.747632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.747632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.747632 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.093 local terms energy: -19.655034 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -3.376 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: 2, replica: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -21.641131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.641131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.641131 (E_RNA) where: Base-Base interactions energy: -2.023 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.613673 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -20.661797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.661797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.661797 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.641156 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -20.401874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.401874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.401874 (E_RNA) where: Base-Base interactions energy: -1.162 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.709 local terms energy: -18.530386 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -3.850 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: 5, replica: 9 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -20.695976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.695976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.695976 (E_RNA) where: Base-Base interactions energy: -0.850 where: short stacking energy: 1.440 Base-Backbone interact. energy: -0.002 local terms energy: -19.843952 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -2.797 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: 6, replica: 5 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -20.905007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.905007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.905007 (E_RNA) where: Base-Base interactions energy: -1.972 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -18.892449 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.915 flat angles P-C4'-P energy: -4.606 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: 7, replica: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -19.710472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.710472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.710472 (E_RNA) where: Base-Base interactions energy: 0.033 where: short stacking energy: 0.033 Base-Backbone interact. energy: 0.575 local terms energy: -20.318116 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.090 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -19.037148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.037148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.037148 (E_RNA) where: Base-Base interactions energy: -3.185 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.227 local terms energy: -15.624979 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: 0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -19.511389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.511389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.511389 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -19.415868 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.294 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: 3 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -20.315903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.315903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.315903 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -20.202221 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -22.643284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.643284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.643284 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -22.631695 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -4.751 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: 2, replica: 6 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -21.314873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.314873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.314873 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.159 local terms energy: -21.555924 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -23.180125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.180125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.180125 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.180124 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -2.677 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: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -22.526896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.526896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.526896 (E_RNA) where: Base-Base interactions energy: -4.568 where: short stacking energy: 0.363 Base-Backbone interact. energy: -0.100 local terms energy: -17.858897 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -3.925 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: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -23.228065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.228065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.228065 (E_RNA) where: Base-Base interactions energy: -1.857 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.370884 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.841 flat angles P-C4'-P energy: -3.577 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: 6, replica: 10 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -20.610586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.610586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.610586 (E_RNA) where: Base-Base interactions energy: -4.224 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.308 local terms energy: -16.077965 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -3.279 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: 7, replica: 5 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -20.009200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.009200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.009200 (E_RNA) where: Base-Base interactions energy: -2.197 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -17.772057 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -4.493 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: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -22.009432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.009432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.009432 (E_RNA) where: Base-Base interactions energy: -3.798 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.316 local terms energy: -17.895302 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: 1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -20.401765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.401765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.401765 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.401643 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.771 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -18.382533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.382533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.382533 (E_RNA) where: Base-Base interactions energy: -0.009 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -18.220779 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -3.980 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: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -23.946436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.946436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.946436 (E_RNA) where: Base-Base interactions energy: -5.460 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.481268 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.754 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: 2, replica: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -20.344532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.344532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.344532 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.343821 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.360 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -24.127227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.127227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.127227 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -24.082085 where: bonds (distance) C4'-P energy: -3.888 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -22.836567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.836567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.836567 (E_RNA) where: Base-Base interactions energy: -5.531 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.732 local terms energy: -16.573335 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.788 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: 5, replica: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -19.777695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.777695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.777695 (E_RNA) where: Base-Base interactions energy: -4.287 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.130 local terms energy: -15.360016 where: bonds (distance) C4'-P energy: -3.454 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -4.262 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: 6, replica: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -20.686784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.686784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.686784 (E_RNA) where: Base-Base interactions energy: -4.693 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.272 local terms energy: -15.721642 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -2.801 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: 7, replica: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -19.876027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.876027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.876027 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -19.835776 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -2.862 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: 8, replica: 5 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -21.893093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.893093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.893093 (E_RNA) where: Base-Base interactions energy: -1.822 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.063370 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -4.350 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: 9, replica: 3 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -21.362809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.362809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.362809 (E_RNA) where: Base-Base interactions energy: -2.525 where: short stacking energy: 1.500 Base-Backbone interact. energy: -0.001 local terms energy: -18.837257 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: 0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -19.053787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.053787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.053787 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -19.042742 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -19.645663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.645663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.645663 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.199 local terms energy: -19.446375 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: 0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -21.026961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.026961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.026961 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -21.002299 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -19.974899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.974899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.974899 (E_RNA) where: Base-Base interactions energy: -4.524 where: short stacking energy: 0.184 Base-Backbone interact. energy: 0.171 local terms energy: -15.621034 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -2.685 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: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -20.641354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.641354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.641354 (E_RNA) where: Base-Base interactions energy: -5.185 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.900 local terms energy: -14.556362 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -2.372 tors. eta vs tors. theta energy: 1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -20.351830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.351830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.351830 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -20.334430 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -4.553 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -24.080823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.080823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.080823 (E_RNA) where: Base-Base interactions energy: -5.059 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -19.003836 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -1.155 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -21.387133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.387133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.387133 (E_RNA) where: Base-Base interactions energy: -4.224 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.191 local terms energy: -16.972228 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: 2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -18.805738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.805738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.805738 (E_RNA) where: Base-Base interactions energy: -2.279 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -16.367412 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: 1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -19.619088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.619088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.619088 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.618701 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -19.103727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.103727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.103727 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -19.033505 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -20.250658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.250658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.250658 (E_RNA) where: Base-Base interactions energy: -1.166 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -19.004507 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -4.477 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: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -21.619286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.619286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.619286 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -21.527690 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -21.320301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.320301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.320301 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.001 local terms energy: -21.619366 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -3.138 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: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -19.875595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.875595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.875595 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.875154 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -2.891 tors. eta vs tors. theta energy: -1.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -20.778115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.778115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.778115 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.776676 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.910 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -22.114877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.114877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.114877 (E_RNA) where: Base-Base interactions energy: -5.423 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -16.619091 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.038 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: 7, replica: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -19.738980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.738980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.738980 (E_RNA) where: Base-Base interactions energy: -4.796 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.164 local terms energy: -14.779340 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: 2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -22.589802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.589802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.589802 (E_RNA) where: Base-Base interactions energy: -5.086 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -17.463532 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: 0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -21.623868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.623868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.623868 (E_RNA) where: Base-Base interactions energy: -6.569 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -15.030602 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.554 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.752 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: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -18.562450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.562450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.562450 (E_RNA) where: Base-Base interactions energy: 1.024 where: short stacking energy: 1.024 Base-Backbone interact. energy: -0.006 local terms energy: -19.581110 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -4.101 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: 1, replica: 9 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -22.390179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.390179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.390179 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.298 local terms energy: -22.091890 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.550 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: 2, replica: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -21.331439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.331439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.331439 (E_RNA) where: Base-Base interactions energy: 0.026 where: short stacking energy: 0.026 Base-Backbone interact. energy: -0.016 local terms energy: -21.341235 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -22.221798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.221798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.221798 (E_RNA) where: Base-Base interactions energy: 1.118 where: short stacking energy: 1.118 Base-Backbone interact. energy: -0.000 local terms energy: -23.339953 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.240 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: 4, replica: 1 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -20.463405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.463405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.463405 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.463216 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.003 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -20.704216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.704216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.704216 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.161 local terms energy: -20.865419 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -20.590103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.590103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.590103 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.590098 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -20.108310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.108310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.108310 (E_RNA) where: Base-Base interactions energy: -2.818 where: short stacking energy: 0.046 Base-Backbone interact. energy: -0.485 local terms energy: -16.804823 where: bonds (distance) C4'-P energy: -3.429 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: 0.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -21.428004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.428004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.428004 (E_RNA) where: Base-Base interactions energy: -3.516 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -17.894890 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -1.551 tors. eta vs tors. theta energy: -1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -18.208430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.208430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.208430 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -18.096516 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: 0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -18.313538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.313538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.313538 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.213392 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -1.750 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -22.454161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.454161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.454161 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.454110 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -4.607 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: 2, replica: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -21.120274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.120274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.120274 (E_RNA) where: Base-Base interactions energy: -2.102 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.132 local terms energy: -18.886891 where: bonds (distance) C4'-P energy: -3.896 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -20.899000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.899000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.899000 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.898986 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -2.519 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: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -20.009261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.009261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.009261 (E_RNA) where: Base-Base interactions energy: -3.119 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -16.865085 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: 1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -19.719479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.719479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.719479 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.619640 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -19.793548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.793548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.793548 (E_RNA) where: Base-Base interactions energy: -2.207 where: short stacking energy: 0.070 Base-Backbone interact. energy: 0.321 local terms energy: -17.907859 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -0.851 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -21.097487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.097487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.097487 (E_RNA) where: Base-Base interactions energy: -5.289 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -15.704559 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: 0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -23.249235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.249235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.249235 (E_RNA) where: Base-Base interactions energy: -3.813 where: short stacking energy: 0.117 Base-Backbone interact. energy: 0.124 local terms energy: -19.560227 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -21.065743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.065743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.065743 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.065636 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -4.237 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: 10, replica: 3 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -19.421588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.421588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.421588 (E_RNA) where: Base-Base interactions energy: 0.004 where: short stacking energy: 0.123 Base-Backbone interact. energy: -1.128 local terms energy: -18.297521 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -2.868 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -22.886659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.886659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.886659 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -22.881247 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -3.692 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: 2, replica: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -21.514336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.514336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.514336 (E_RNA) where: Base-Base interactions energy: -0.538 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.010 local terms energy: -19.965891 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -23.050626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.050626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.050626 (E_RNA) where: Base-Base interactions energy: 0.180 where: short stacking energy: 0.180 Base-Backbone interact. energy: -0.008 local terms energy: -23.222747 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -20.227346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.227346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.227346 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.224854 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -19.243880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.243880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.243880 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.239615 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: 0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -19.651650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.651650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.651650 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -19.572520 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: 0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -19.186796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.186796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.186796 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -19.133006 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.337 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: 8, replica: 8 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -21.194853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.194853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.194853 (E_RNA) where: Base-Base interactions energy: -3.417 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -17.700530 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -2.322 flat angles P-C4'-P energy: -4.110 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: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -19.029502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.029502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.029502 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -19.009919 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -19.513099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.513099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.513099 (E_RNA) where: Base-Base interactions energy: -2.875 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -16.626141 where: bonds (distance) C4'-P energy: -4.190 bonds (distance) P-C4' energy: -4.157 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -23.081861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.081861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.081861 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.081484 where: bonds (distance) C4'-P energy: -4.078 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -21.054368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.054368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.054368 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.054368 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -22.314230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.314230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.314230 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -22.259430 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -20.474873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.474873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.474873 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.474573 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -20.987056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.987056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.987056 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.986483 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -20.003794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.003794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.003794 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -19.970147 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.809 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: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -20.114786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.114786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.114786 (E_RNA) where: Base-Base interactions energy: -1.166 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.363 local terms energy: -18.585267 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: 0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -20.764380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.764380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.764380 (E_RNA) where: Base-Base interactions energy: -2.804 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -17.927659 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -4.366 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: 9, replica: 3 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -19.274077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.274077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.274077 (E_RNA) where: Base-Base interactions energy: -8.099 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -11.102981 where: bonds (distance) C4'-P energy: -3.396 bonds (distance) P-C4' energy: -2.948 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -2.505 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: 10, replica: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -19.608918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.608918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.608918 (E_RNA) where: Base-Base interactions energy: -4.419 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -15.176782 where: bonds (distance) C4'-P energy: -1.992 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -2.220 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: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -22.057683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.057683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.057683 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.029 local terms energy: -22.086495 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -4.377 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: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -21.361281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.361281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.361281 (E_RNA) where: Base-Base interactions energy: -0.403 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.958439 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -20.061653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.061653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.061653 (E_RNA) where: Base-Base interactions energy: -2.813 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -17.184057 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.712 flat angles P-C4'-P energy: -4.343 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: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -21.872142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.872142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.872142 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.869561 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.252 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: 5, replica: 9 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -22.059728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.059728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.059728 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.549 local terms energy: -21.510656 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -20.666785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.666785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.666785 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -20.561530 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -3.830 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: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -19.873387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.873387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.873387 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.867693 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -18.231687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.231687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.231687 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -18.109708 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: 0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -19.273099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.273099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.273099 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.583 local terms energy: -18.690071 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -4.025 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: 10, replica: 5 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -18.422600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.422600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.422600 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.417644 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: 1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -22.834118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.834118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.834118 (E_RNA) where: Base-Base interactions energy: -5.292 where: short stacking energy: 0.408 Base-Backbone interact. energy: -0.144 local terms energy: -17.398853 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: 1.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -22.279811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.279811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.279811 (E_RNA) where: Base-Base interactions energy: -5.432 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -16.720278 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.708 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: 3, replica: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -21.561123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.561123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.561123 (E_RNA) where: Base-Base interactions energy: 0.545 where: short stacking energy: 0.545 Base-Backbone interact. energy: -0.000 local terms energy: -22.106319 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -19.259250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.259250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.259250 (E_RNA) where: Base-Base interactions energy: -5.306 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -13.874199 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -0.889 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: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -21.530880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.530880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.530880 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.991 local terms energy: -20.540331 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -20.148382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.148382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.148382 (E_RNA) where: Base-Base interactions energy: -2.141 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -17.972644 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -3.918 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: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -20.076121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.076121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.076121 (E_RNA) where: Base-Base interactions energy: 0.149 where: short stacking energy: 0.149 Base-Backbone interact. energy: -0.111 local terms energy: -20.114050 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -2.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -19.598471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.598471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.598471 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.598456 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: 0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -19.329640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.329640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.329640 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -19.285482 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -1.930 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: 10, replica: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -19.953420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.953420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.953420 (E_RNA) where: Base-Base interactions energy: -0.226 where: short stacking energy: 0.221 Base-Backbone interact. energy: -0.007 local terms energy: -19.720451 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.446 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -2.701 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -21.842591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.842591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.842591 (E_RNA) where: Base-Base interactions energy: -5.355 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.138 local terms energy: -16.350050 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: 1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -21.672277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.672277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.672277 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.670994 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -20.476657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.476657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.476657 (E_RNA) where: Base-Base interactions energy: -2.575 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -17.851590 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.983 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: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -21.430895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.430895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.430895 (E_RNA) where: Base-Base interactions energy: -4.128 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.170 local terms energy: -17.132482 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.494 flat angles P-C4'-P energy: -1.984 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: 5, replica: 10 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -19.815878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.815878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.815878 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -19.734759 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -21.530492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.530492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.530492 (E_RNA) where: Base-Base interactions energy: -1.960 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.152 local terms energy: -18.418824 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: -3.571 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: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -20.493039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.493039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.493039 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.495 local terms energy: -19.998103 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: 0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -20.100587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.100587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.100587 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.100579 where: bonds (distance) C4'-P energy: -2.534 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: -4.483 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: 9, replica: 6 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -19.408025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.408025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.408025 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.408018 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -20.205468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.205468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.205468 (E_RNA) where: Base-Base interactions energy: -2.164 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -17.897472 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: 2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -24.379680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.379680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.379680 (E_RNA) where: Base-Base interactions energy: -5.037 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -19.288940 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.496 flat angles P-C4'-P energy: -4.209 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: 2, replica: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -25.666370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.666370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.666370 (E_RNA) where: Base-Base interactions energy: -8.392 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.894 local terms energy: -16.379699 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -1.397 flat angles P-C4'-P energy: -1.285 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -22.445355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.445355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.445355 (E_RNA) where: Base-Base interactions energy: -1.733 where: short stacking energy: 0.330 Base-Backbone interact. energy: -0.002 local terms energy: -20.709629 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -3.884 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: 1 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -20.327374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.327374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.327374 (E_RNA) where: Base-Base interactions energy: -1.060 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.167783 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -4.378 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: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -20.503413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.503413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.503413 (E_RNA) where: Base-Base interactions energy: -5.329 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -15.099962 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -1.991 tors. eta vs tors. theta energy: 1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -19.448982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.448982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.448982 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.444826 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: 0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -19.481805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.481805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.481805 (E_RNA) where: Base-Base interactions energy: -1.205 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -18.229657 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -3.068 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: 8, replica: 9 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -18.970527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.970527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.970527 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.970522 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -20.114095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.114095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.114095 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -20.082693 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -19.550258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.550258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.550258 (E_RNA) where: Base-Base interactions energy: 0.707 where: short stacking energy: 0.707 Base-Backbone interact. energy: -0.001 local terms energy: -20.256364 where: bonds (distance) C4'-P energy: -3.225 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -4.420 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: 1, replica: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -23.321323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.321323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.321323 (E_RNA) where: Base-Base interactions energy: -5.407 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -17.870295 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.961 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: 2, replica: 8 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -21.960686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.960686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.960686 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.960673 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.045 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: 3, replica: 7 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -23.097961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.097961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.097961 (E_RNA) where: Base-Base interactions energy: -5.002 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.094364 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: 0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -21.762734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.762734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.762734 (E_RNA) where: Base-Base interactions energy: 0.936 where: short stacking energy: 0.936 Base-Backbone interact. energy: -0.000 local terms energy: -22.698988 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.479 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: 5, replica: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -21.152874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.152874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.152874 (E_RNA) where: Base-Base interactions energy: -1.844 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -19.254048 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.528 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -3.968 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: 6, replica: 5 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -20.450819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.450819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.450819 (E_RNA) where: Base-Base interactions energy: -3.162 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -17.235359 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: -0.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -21.504317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.504317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.504317 (E_RNA) where: Base-Base interactions energy: -4.988 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.212 local terms energy: -16.303663 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: 1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -21.624230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.624230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.624230 (E_RNA) where: Base-Base interactions energy: -4.797 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -16.775309 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: 0.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -19.350048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.350048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.350048 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.348665 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -3.759 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: 10, replica: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -19.827162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.827162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.827162 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.551 local terms energy: -19.276482 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: 0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -24.909984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.909984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.909984 (E_RNA) where: Base-Base interactions energy: -6.896 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.158 local terms energy: -17.855658 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.106 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: 0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -20.579558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.579558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.579558 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.122 local terms energy: -20.657999 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -21.415117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.415117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.415117 (E_RNA) where: Base-Base interactions energy: -5.019 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -16.296485 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -3.272 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: 4, replica: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -19.583570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.583570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.583570 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.582910 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -20.210842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.210842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.210842 (E_RNA) where: Base-Base interactions energy: -1.887 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.317830 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.764 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -19.957239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.957239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.957239 (E_RNA) where: Base-Base interactions energy: -0.415 where: short stacking energy: 0.040 Base-Backbone interact. energy: -0.043 local terms energy: -19.498722 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -1.749 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: 7, replica: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -19.873289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.873289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.873289 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -19.770137 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -19.805698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.805698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.805698 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.804969 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -21.058007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.058007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.058007 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.057987 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -2.708 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: 10, replica: 9 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -19.256705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.256705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.256705 (E_RNA) where: Base-Base interactions energy: -4.947 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -14.254008 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.234 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: 3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -21.619434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.619434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.619434 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -21.537713 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -22.543996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.543996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.543996 (E_RNA) where: Base-Base interactions energy: -8.408 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.198 local terms energy: -13.938480 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.038 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: 2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -20.867209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.867209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.867209 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -20.820783 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -19.818289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.818289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.818289 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -19.765043 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -3.567 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: 5, replica: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -20.243187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.243187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.243187 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.138 local terms energy: -20.105368 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -3.736 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: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -19.710024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.710024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.710024 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.709616 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: 0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -22.515430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.515430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.515430 (E_RNA) where: Base-Base interactions energy: -4.852 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -17.569881 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -2.754 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: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -21.202464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.202464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.202464 (E_RNA) where: Base-Base interactions energy: -1.505 where: short stacking energy: 1.236 Base-Backbone interact. energy: -0.001 local terms energy: -19.696438 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.416 flat angles P-C4'-P energy: -4.210 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: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -19.480071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.480071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.480071 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.203 local terms energy: -19.683175 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -19.623870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.623870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.623870 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -19.589640 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -2.885 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -21.427219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.427219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.427219 (E_RNA) where: Base-Base interactions energy: -1.942 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.514 local terms energy: -19.999074 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -3.923 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: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -23.277860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.277860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.277860 (E_RNA) where: Base-Base interactions energy: -4.029 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.290 local terms energy: -18.959136 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -20.813312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.813312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.813312 (E_RNA) where: Base-Base interactions energy: -4.264 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.120 local terms energy: -16.429169 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: 1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -21.685223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.685223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.685223 (E_RNA) where: Base-Base interactions energy: -5.210 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -16.462312 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -4.276 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: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -20.221364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.221364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.221364 (E_RNA) where: Base-Base interactions energy: -2.121 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.088333 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -4.084 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: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -20.072830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.072830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.072830 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -19.987002 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -3.597 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: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -20.265087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.265087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.265087 (E_RNA) where: Base-Base interactions energy: -6.236 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.420 local terms energy: -13.609078 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -2.005 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: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -19.914876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.914876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.914876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.914464 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -20.993890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.993890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.993890 (E_RNA) where: Base-Base interactions energy: -1.922 where: short stacking energy: 0.257 Base-Backbone interact. energy: -0.176 local terms energy: -18.896369 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.189 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -0.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -18.639042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.639042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.639042 (E_RNA) where: Base-Base interactions energy: 1.318 where: short stacking energy: 1.318 Base-Backbone interact. energy: -0.672 local terms energy: -19.284429 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -3.813 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: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -21.479644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.479644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.479644 (E_RNA) where: Base-Base interactions energy: -5.445 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -15.970293 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -3.071 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: 2, replica: 5 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -22.670027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.670027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.670027 (E_RNA) where: Base-Base interactions energy: -2.018 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.203 local terms energy: -19.448691 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -0.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -20.360197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.360197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.360197 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.359097 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -20.878539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.878539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.878539 (E_RNA) where: Base-Base interactions energy: -3.359 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.519181 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -3.998 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -3.222 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: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -20.198776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.198776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.198776 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.193982 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -18.320456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.320456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.320456 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -18.285675 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.526 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: 7, replica: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -20.240346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.240346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.240346 (E_RNA) where: Base-Base interactions energy: -3.302 where: short stacking energy: 2.000 Base-Backbone interact. energy: -0.233 local terms energy: -16.705430 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: 2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -19.758982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.758982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.758982 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -19.729424 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -20.231565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.231565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.231565 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -20.196900 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -18.476371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476371 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -18.421804 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: 1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -21.459520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.459520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.459520 (E_RNA) where: Base-Base interactions energy: -4.196 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.219 local terms energy: -17.045020 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: 2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -21.336358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.336358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.336358 (E_RNA) where: Base-Base interactions energy: 0.009 where: short stacking energy: 0.009 Base-Backbone interact. energy: -0.000 local terms energy: -21.345288 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -21.182036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.182036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.182036 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.182035 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -3.044 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: 4, replica: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -20.816857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.816857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.816857 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.815325 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.469 flat angles P-C4'-P energy: -3.521 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: 5, replica: 6 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -21.229444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.229444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.229444 (E_RNA) where: Base-Base interactions energy: -3.193 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.027380 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -4.176 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: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -23.006972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.006972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.006972 (E_RNA) where: Base-Base interactions energy: -5.364 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.484 local terms energy: -18.127197 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -20.846371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.846371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.846371 (E_RNA) where: Base-Base interactions energy: -0.527 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -20.278139 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -20.155735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.155735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.155735 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.266 local terms energy: -19.889602 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: 0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -19.177632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.177632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.177632 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.177630 where: bonds (distance) C4'-P energy: -3.578 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.215 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: 10, replica: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -21.306773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.306773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.306773 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.306236 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.595 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: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -22.322621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.322621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.322621 (E_RNA) where: Base-Base interactions energy: -2.261 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.250 local terms energy: -19.810737 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -21.359739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.359739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.359739 (E_RNA) where: Base-Base interactions energy: -2.577 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.150 local terms energy: -18.632648 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -0.606 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -21.542052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.542052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.542052 (E_RNA) where: Base-Base interactions energy: -0.463 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.293 local terms energy: -20.785657 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -21.652477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.652477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.652477 (E_RNA) where: Base-Base interactions energy: -4.172 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -17.446411 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: 0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -19.887638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.887638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.887638 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.787577 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: 0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -19.364281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.364281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.364281 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.351924 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -19.614950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.614950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.614950 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.613624 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.174 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -20.229335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.229335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.229335 (E_RNA) where: Base-Base interactions energy: -2.012 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -18.149749 where: bonds (distance) C4'-P energy: -3.574 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -2.277 tors. eta vs tors. theta energy: -0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -21.314851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.314851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.314851 (E_RNA) where: Base-Base interactions energy: -3.713 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -17.535796 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -3.792 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: 10, replica: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -19.663837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.663837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.663837 (E_RNA) where: Base-Base interactions energy: -2.639 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.652 local terms energy: -17.677071 where: bonds (distance) C4'-P energy: -2.787 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -0.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -24.192350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.192350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.192350 (E_RNA) where: Base-Base interactions energy: -7.570 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.155 local terms energy: -16.467392 where: bonds (distance) C4'-P energy: -2.965 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -4.046 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: 2, replica: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -20.119004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.119004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.119004 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.097621 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.834 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: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -21.808260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.808260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.808260 (E_RNA) where: Base-Base interactions energy: -2.816 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.301 local terms energy: -17.690579 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -2.903 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: 4, replica: 6 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -23.087308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.087308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.087308 (E_RNA) where: Base-Base interactions energy: -0.106 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -22.930944 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -4.634 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: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -19.228326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.228326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.228326 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -19.131314 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: 0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -20.540369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.540369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.540369 (E_RNA) where: Base-Base interactions energy: -4.809 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -15.704790 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.029 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -2.720 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: 7, replica: 10 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -19.290396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.290396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.290396 (E_RNA) where: Base-Base interactions energy: -1.716 where: short stacking energy: 0.099 Base-Backbone interact. energy: -0.164 local terms energy: -17.410747 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -1.343 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: 2 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -20.125874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.125874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.125874 (E_RNA) where: Base-Base interactions energy: -0.991 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.130652 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -20.951179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.951179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.951179 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.522 local terms energy: -20.429534 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -4.496 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: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -20.582898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.582898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.582898 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.102 local terms energy: -19.480890 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -21.104996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.104996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.104996 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -21.090113 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -4.085 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: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -20.281155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.281155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.281155 (E_RNA) where: Base-Base interactions energy: -1.643 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -18.555088 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: 0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -23.902938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.902938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.902938 (E_RNA) where: Base-Base interactions energy: -3.249 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.651086 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -23.010782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.010782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.010782 (E_RNA) where: Base-Base interactions energy: -5.553 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -17.282870 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: 0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -21.468520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.468520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.468520 (E_RNA) where: Base-Base interactions energy: 0.165 where: short stacking energy: 0.165 Base-Backbone interact. energy: -0.000 local terms energy: -21.633820 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -3.096 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: 6, replica: 10 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -22.465284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.465284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.465284 (E_RNA) where: Base-Base interactions energy: -5.242 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -17.207804 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -2.782 tors. eta vs tors. theta energy: 0.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -20.695146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.695146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.695146 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.595201 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -3.624 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: 8, replica: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -19.919797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.919797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.919797 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.910370 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -18.973612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.973612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.973612 (E_RNA) where: Base-Base interactions energy: -2.837 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -16.106632 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: 2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -20.877461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.877461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.877461 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.877456 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -24.933385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.933385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.933385 (E_RNA) where: Base-Base interactions energy: -5.907 where: short stacking energy: 0.546 Base-Backbone interact. energy: -0.074 local terms energy: -18.952569 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -22.599016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.599016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.599016 (E_RNA) where: Base-Base interactions energy: -1.199 where: short stacking energy: 0.148 Base-Backbone interact. energy: -0.001 local terms energy: -21.399030 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -4.384 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: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -21.627796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.627796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.627796 (E_RNA) where: Base-Base interactions energy: -5.221 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.096 local terms energy: -16.503681 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: 3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -20.557149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.557149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.557149 (E_RNA) where: Base-Base interactions energy: -5.206 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.134 local terms energy: -15.216650 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: 3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -20.829254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.829254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.829254 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -20.810929 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.902 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: 6, replica: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -20.951557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.951557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.951557 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.925 local terms energy: -20.126640 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.521 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: 7, replica: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -20.470410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.470410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.470410 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.468367 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: 0.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -18.711467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.711467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.711467 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.348 local terms energy: -18.363614 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -2.157 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -20.361711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.361711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.361711 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.361679 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -3.761 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: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -17.309146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.309146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.309146 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.309131 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: 0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -23.833807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.833807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.833807 (E_RNA) where: Base-Base interactions energy: -4.930 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -18.887091 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: 0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -22.231055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.231055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.231055 (E_RNA) where: Base-Base interactions energy: 0.129 where: short stacking energy: 0.129 Base-Backbone interact. energy: -0.000 local terms energy: -22.360143 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -20.210564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.210564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.210564 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -20.124131 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: 0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -23.977864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.977864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.977864 (E_RNA) where: Base-Base interactions energy: -4.028 where: short stacking energy: 0.013 Base-Backbone interact. energy: -0.024 local terms energy: -19.925671 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -4.195 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: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -21.609980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.609980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.609980 (E_RNA) where: Base-Base interactions energy: -0.834 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.514 local terms energy: -20.261246 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -2.793 flat angles P-C4'-P energy: -4.312 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: 6, replica: 9 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -20.854802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.854802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.854802 (E_RNA) where: Base-Base interactions energy: -0.051 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.803968 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -20.806725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.806725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.806725 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -20.724820 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.838 flat angles P-C4'-P energy: -3.567 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: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -23.023037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.023037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.023037 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.022991 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -19.199365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.199365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.199365 (E_RNA) where: Base-Base interactions energy: -3.179 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -15.906178 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -2.441 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: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -18.519946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.519946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.519946 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.511910 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.487 flat angles P-C4'-P energy: -4.225 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: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -21.703154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.703154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.703154 (E_RNA) where: Base-Base interactions energy: -3.051 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.339 local terms energy: -18.313310 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.067 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: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -20.975486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.975486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.975486 (E_RNA) where: Base-Base interactions energy: -2.719 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.250564 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.265 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: 3, replica: 10 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -22.042051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.042051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.042051 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.006 local terms energy: -22.136029 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -21.075322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.075322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.075322 (E_RNA) where: Base-Base interactions energy: -5.155 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -15.907448 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: 2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -22.061129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.061129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.061129 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -22.052013 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -20.270090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.270090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.270090 (E_RNA) where: Base-Base interactions energy: -3.488 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.231 local terms energy: -16.550745 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: 0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -19.228497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.228497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.228497 (E_RNA) where: Base-Base interactions energy: 0.182 where: short stacking energy: 0.182 Base-Backbone interact. energy: -0.000 local terms energy: -19.410229 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.279 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: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -19.678737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.678737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.678737 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.674088 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.240 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: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -17.222601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.222601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.222601 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -17.122047 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -4.192 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: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -19.005686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.005686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.005686 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.004182 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: 1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -21.619931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.619931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.619931 (E_RNA) where: Base-Base interactions energy: -4.013 where: short stacking energy: 0.052 Base-Backbone interact. energy: -0.558 local terms energy: -17.049239 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -2.541 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: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -23.806816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.806816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.806816 (E_RNA) where: Base-Base interactions energy: -5.679 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -18.100433 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: 2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -20.797869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.797869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.797869 (E_RNA) where: Base-Base interactions energy: 0.105 where: short stacking energy: 0.105 Base-Backbone interact. energy: -0.007 local terms energy: -20.895937 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -3.339 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -3.522 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: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -20.779993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.779993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.779993 (E_RNA) where: Base-Base interactions energy: -5.833 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -14.901535 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -2.324 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: 0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -22.616572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.616572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.616572 (E_RNA) where: Base-Base interactions energy: -5.437 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.136 local terms energy: -17.043870 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: 2.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -20.067449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.067449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.067449 (E_RNA) where: Base-Base interactions energy: -0.451 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.516336 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -3.509 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: 7, replica: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -19.033154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.033154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.033154 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -18.907055 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: 0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -20.368854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.368854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.368854 (E_RNA) where: Base-Base interactions energy: 0.077 where: short stacking energy: 0.077 Base-Backbone interact. energy: -0.000 local terms energy: -20.445320 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -20.727330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727330 (E_RNA) where: Base-Base interactions energy: 0.039 where: short stacking energy: 0.039 Base-Backbone interact. energy: -0.001 local terms energy: -20.764713 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -4.883 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: 287 Temperature: 1.350000 Total energy: -20.296458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.296458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.296458 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.296332 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -24.182227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.182227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.182227 (E_RNA) where: Base-Base interactions energy: -6.609 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -17.564901 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.217 flat angles P-C4'-P energy: -2.769 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: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -21.159056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.159056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.159056 (E_RNA) where: Base-Base interactions energy: -4.843 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.520 local terms energy: -15.795294 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -0.950 tors. eta vs tors. theta energy: -0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -21.524487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.524487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.524487 (E_RNA) where: Base-Base interactions energy: -1.661 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.860970 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -21.379657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.379657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.379657 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.373924 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -3.685 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: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -24.669480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.669480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.669480 (E_RNA) where: Base-Base interactions energy: -5.801 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -18.801235 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: 0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -22.001331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.001331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.001331 (E_RNA) where: Base-Base interactions energy: -1.319 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -20.642308 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -21.193320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.193320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.193320 (E_RNA) where: Base-Base interactions energy: -0.665 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -20.527767 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -20.117675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.117675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.117675 (E_RNA) where: Base-Base interactions energy: 0.420 where: short stacking energy: 0.420 Base-Backbone interact. energy: -0.140 local terms energy: -20.397282 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.773 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: 9, replica: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -18.845170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.845170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.845170 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -18.699469 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: 0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -19.310665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.310665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.310665 (E_RNA) where: Base-Base interactions energy: 1.876 where: short stacking energy: 1.876 Base-Backbone interact. energy: -0.000 local terms energy: -21.186918 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -3.651 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: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -22.570688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.570688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.570688 (E_RNA) where: Base-Base interactions energy: -4.421 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.149511 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.425 flat angles P-C4'-P energy: -3.306 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: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -20.477226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.477226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.477226 (E_RNA) where: Base-Base interactions energy: -1.516 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.387 local terms energy: -18.574240 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -21.015241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.015241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.015241 (E_RNA) where: Base-Base interactions energy: -2.748 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -18.155335 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.273 flat angles P-C4'-P energy: -3.788 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -21.743337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.743337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.743337 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.743336 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.011 flat angles P-C4'-P energy: -4.571 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: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -19.818937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.818937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.818937 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.330 local terms energy: -17.489340 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -3.549 flat angles P-C4'-P energy: -4.476 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: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -18.702798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.702798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.702798 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.690697 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: 0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -19.735088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.735088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.735088 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.731014 where: bonds (distance) C4'-P energy: -3.843 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -21.236238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.236238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.236238 (E_RNA) where: Base-Base interactions energy: -4.693 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -16.444178 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -1.706 tors. eta vs tors. theta energy: -0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -20.803592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.803592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.803592 (E_RNA) where: Base-Base interactions energy: 1.377 where: short stacking energy: 1.377 Base-Backbone interact. energy: -0.000 local terms energy: -22.180578 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -2.890 tors. eta vs tors. theta energy: -3.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -20.701959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.701959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.701959 (E_RNA) where: Base-Base interactions energy: -4.492 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.165 local terms energy: -16.044635 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -3.857 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -22.542572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.542572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.542572 (E_RNA) where: Base-Base interactions energy: -4.851 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -17.673579 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -3.246 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: 2, replica: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -20.649446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.649446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.649446 (E_RNA) where: Base-Base interactions energy: 0.025 where: short stacking energy: 0.025 Base-Backbone interact. energy: -0.000 local terms energy: -20.674002 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.772 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -24.464277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.464277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.464277 (E_RNA) where: Base-Base interactions energy: -3.329 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.655 local terms energy: -20.480159 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.229 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: 4, replica: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -21.924757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.924757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.924757 (E_RNA) where: Base-Base interactions energy: -2.056 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -19.826859 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.289 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -20.507313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.507313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.507313 (E_RNA) where: Base-Base interactions energy: -0.567 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.655 local terms energy: -20.594521 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -20.673184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.673184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.673184 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.673098 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -4.805 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: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -21.583069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.583069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.583069 (E_RNA) where: Base-Base interactions energy: 0.118 where: short stacking energy: 0.118 Base-Backbone interact. energy: -0.850 local terms energy: -20.851485 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -19.382225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.382225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.382225 (E_RNA) where: Base-Base interactions energy: 1.200 where: short stacking energy: 1.200 Base-Backbone interact. energy: -0.025 local terms energy: -20.557642 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -3.812 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: 9, replica: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -19.189383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.189383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.189383 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.628 local terms energy: -19.817448 where: bonds (distance) C4'-P energy: -3.955 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -19.808564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.808564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.808564 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -19.725218 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -4.645 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: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -22.127796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.127796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.127796 (E_RNA) where: Base-Base interactions energy: -4.954 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -17.034672 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: 0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -21.894957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.894957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.894957 (E_RNA) where: Base-Base interactions energy: -1.386 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.507664 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: 0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -21.196672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.196672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.196672 (E_RNA) where: Base-Base interactions energy: -5.335 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.198 local terms energy: -15.663160 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.630 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: 2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -20.638927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.638927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.638927 (E_RNA) where: Base-Base interactions energy: -1.684 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -18.939608 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -19.627948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.627948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.627948 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -19.596028 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -1.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -20.062085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.062085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.062085 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.062053 where: bonds (distance) C4'-P energy: -3.412 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.384 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: 7, replica: 5 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -19.890486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.890486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.890486 (E_RNA) where: Base-Base interactions energy: -3.404 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.483636 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.658 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: 8, replica: 8 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -19.663970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.663970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.663970 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.662511 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.007 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: 9, replica: 4 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -18.380026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.380026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.380026 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.373636 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: 0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -19.428681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.428681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.428681 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.428403 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -2.769 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: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -21.471711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.471711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.471711 (E_RNA) where: Base-Base interactions energy: -1.565 where: short stacking energy: 0.426 Base-Backbone interact. energy: -0.118 local terms energy: -19.788239 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -21.148736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.148736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.148736 (E_RNA) where: Base-Base interactions energy: -5.710 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.171 local terms energy: -15.267853 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.423 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: 1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -23.745190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.745190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.745190 (E_RNA) where: Base-Base interactions energy: -2.546 where: short stacking energy: 0.156 Base-Backbone interact. energy: -0.000 local terms energy: -21.198655 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -21.828292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.828292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.828292 (E_RNA) where: Base-Base interactions energy: -1.968 where: short stacking energy: 1.188 Base-Backbone interact. energy: -0.419 local terms energy: -19.441068 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -2.882 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: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -21.404579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.404579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.404579 (E_RNA) where: Base-Base interactions energy: 0.600 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.000 local terms energy: -22.004579 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -21.044342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.044342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.044342 (E_RNA) where: Base-Base interactions energy: -1.321 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.675631 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -23.718828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.718828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.718828 (E_RNA) where: Base-Base interactions energy: -6.688 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.784 local terms energy: -16.247057 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.334 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: 1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -21.460561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.460561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.460561 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.460211 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -20.175958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.175958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.175958 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.169754 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -3.178 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: 10, replica: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -18.816346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.816346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.816346 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.301 local terms energy: -18.515102 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.568 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: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -21.244263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.244263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.244263 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -21.230784 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -4.388 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: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -22.390990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.390990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.390990 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.390814 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -22.511565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.511565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.511565 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.835 local terms energy: -19.676954 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -3.540 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: 4, replica: 6 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -22.987669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.987669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.987669 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.987661 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -21.695385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.695385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.695385 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.690049 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -4.113 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: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -20.004361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.004361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.004361 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.996716 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.273 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: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -21.618677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.618677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.618677 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -21.581340 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -19.674068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.674068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.674068 (E_RNA) where: Base-Base interactions energy: -0.821 where: short stacking energy: 0.144 Base-Backbone interact. energy: -0.062 local terms energy: -18.791322 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: 0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -20.430478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.430478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.430478 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -20.400902 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -19.292305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.292305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.292305 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.291953 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -3.969 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: 7 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -19.308178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.308178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.308178 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.301833 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: 1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -21.700179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.700179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.700179 (E_RNA) where: Base-Base interactions energy: -3.900 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -17.719573 where: bonds (distance) C4'-P energy: -3.570 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.461 flat angles P-C4'-P energy: -4.599 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: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -22.054928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.054928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.054928 (E_RNA) where: Base-Base interactions energy: -4.783 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.448 local terms energy: -16.823900 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -4.150 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: 6 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -21.315452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.315452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.315452 (E_RNA) where: Base-Base interactions energy: -2.233 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.397 local terms energy: -19.479532 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -4.420 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: 294 Temperature: 1.100000 Total energy: -20.471351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.471351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.471351 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.471300 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: 0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -19.922915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.922915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.922915 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.208 local terms energy: -20.130696 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -21.397318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.397318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.397318 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -21.330706 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -4.675 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: 8, replica: 9 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -20.634182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.634182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.634182 (E_RNA) where: Base-Base interactions energy: 0.396 where: short stacking energy: 0.396 Base-Backbone interact. energy: -0.001 local terms energy: -21.029791 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -1.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -18.846450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.846450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.846450 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.393 local terms energy: -18.452990 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -3.289 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: 10, replica: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -19.165727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.165727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.165727 (E_RNA) where: Base-Base interactions energy: 0.050 where: short stacking energy: 0.050 Base-Backbone interact. energy: -0.000 local terms energy: -19.215056 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.845 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -23.079707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.079707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.079707 (E_RNA) where: Base-Base interactions energy: -1.641 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.170 local terms energy: -21.268885 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -4.627 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: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -20.684093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.684093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.684093 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.668386 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -4.031 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: 3, replica: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -22.919076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.919076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.919076 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.918763 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -20.976687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.976687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.976687 (E_RNA) where: Base-Base interactions energy: -5.659 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -15.223387 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: 3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -20.798995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.798995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.798995 (E_RNA) where: Base-Base interactions energy: 0.700 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.077 local terms energy: -21.422068 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.898 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: 6, replica: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -21.363279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.363279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.363279 (E_RNA) where: Base-Base interactions energy: -5.521 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.344 local terms energy: -15.498544 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.250 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: 7, replica: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -18.591766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.591766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.591766 (E_RNA) where: Base-Base interactions energy: -0.392 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -18.140370 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: 0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -20.063217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.063217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.063217 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -19.990074 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -19.924189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.924189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.924189 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -19.909917 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -19.591426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.591426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.591426 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -19.565687 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -4.159 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: 7 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -22.201871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.201871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.201871 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -22.182164 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.753 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: 2, replica: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -20.003005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.003005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.003005 (E_RNA) where: Base-Base interactions energy: -4.073 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -15.905488 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.499 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: 1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -22.537292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.537292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.537292 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -22.459019 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -4.846 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: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -20.600397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.600397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.600397 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.600265 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -20.272104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.272104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.272104 (E_RNA) where: Base-Base interactions energy: -2.465 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -17.693877 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -2.686 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -20.206048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.206048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.206048 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.205723 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -4.088 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: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -20.319900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319900 (E_RNA) where: Base-Base interactions energy: 0.371 where: short stacking energy: 0.371 Base-Backbone interact. energy: -0.004 local terms energy: -20.686579 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -4.172 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: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -21.571233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.571233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.571233 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.571009 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.514 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: 9, replica: 5 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -22.185054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.185054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.185054 (E_RNA) where: Base-Base interactions energy: -2.450 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.729625 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: 1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -19.414704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.414704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.414704 (E_RNA) where: Base-Base interactions energy: 0.046 where: short stacking energy: 0.046 Base-Backbone interact. energy: -0.001 local terms energy: -19.459434 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: 0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -23.516518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.516518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.516518 (E_RNA) where: Base-Base interactions energy: -6.149 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -17.360486 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: 0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -21.561210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.561210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.561210 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -21.525874 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -3.695 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: 3, replica: 1 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -21.981480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.981480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.981480 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -21.932786 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.241 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -3.522 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: 4, replica: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -19.877409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.877409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.877409 (E_RNA) where: Base-Base interactions energy: -5.934 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -13.832847 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -2.490 flat angles P-C4'-P energy: -2.536 tors. eta vs tors. theta energy: 1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -21.067166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.067166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.067166 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -21.024687 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.316 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: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -20.339441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.339441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.339441 (E_RNA) where: Base-Base interactions energy: -1.779 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.157 local terms energy: -18.402765 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.950 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: 0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -19.261442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261442 (E_RNA) where: Base-Base interactions energy: -2.792 where: short stacking energy: 0.632 Base-Backbone interact. energy: 0.750 local terms energy: -17.218557 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: 1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -19.909018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.909018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.909018 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.163 local terms energy: -19.745621 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -19.609564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.609564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.609564 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.139 local terms energy: -19.670815 where: bonds (distance) C4'-P energy: -3.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -20.435225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.435225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.435225 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -20.382802 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -22.743702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.743702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.743702 (E_RNA) where: Base-Base interactions energy: -6.118 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.221 local terms energy: -15.404041 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -4.021 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: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -22.607885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.607885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.607885 (E_RNA) where: Base-Base interactions energy: -4.021 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -18.501141 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -22.269878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.269878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.269878 (E_RNA) where: Base-Base interactions energy: -4.478 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.167 local terms energy: -17.625207 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: 2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -20.945261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.945261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.945261 (E_RNA) where: Base-Base interactions energy: -6.106 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -14.783702 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.097 flat angles P-C4'-P energy: -0.475 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: 5, replica: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -23.349587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.349587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.349587 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -23.318308 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.784 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: 298 Temperature: 1.150000 Total energy: -21.774541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.774541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.774541 (E_RNA) where: Base-Base interactions energy: -4.694 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.554 local terms energy: -16.526718 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -2.786 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: 298 Temperature: 1.200000 Total energy: -20.160589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.160589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.160589 (E_RNA) where: Base-Base interactions energy: -5.664 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -14.402132 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: 2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -19.254428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.254428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.254428 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -19.195162 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.950 flat angles P-C4'-P energy: -4.389 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: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -20.346607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.346607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.346607 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.346570 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -20.206533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.206533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.206533 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.206162 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -3.429 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: 299 Temperature: 0.900000 Total energy: -22.449677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.449677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.449677 (E_RNA) where: Base-Base interactions energy: -1.006 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.443620 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -21.760243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.760243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.760243 (E_RNA) where: Base-Base interactions energy: -1.843 where: short stacking energy: 0.051 Base-Backbone interact. energy: -0.132 local terms energy: -19.784924 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -20.758273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.758273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.758273 (E_RNA) where: Base-Base interactions energy: -0.746 where: short stacking energy: 0.190 Base-Backbone interact. energy: -0.006 local terms energy: -20.005727 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -1.272 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -22.121889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.121889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.121889 (E_RNA) where: Base-Base interactions energy: -2.651 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.134 local terms energy: -19.336969 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.664 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: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -20.000824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.000824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.000824 (E_RNA) where: Base-Base interactions energy: -0.037 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.660 local terms energy: -20.624470 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -21.164340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.164340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.164340 (E_RNA) where: Base-Base interactions energy: 0.139 where: short stacking energy: 0.139 Base-Backbone interact. energy: -0.000 local terms energy: -21.303040 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -2.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -21.214667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.214667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.214667 (E_RNA) where: Base-Base interactions energy: -1.836 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.377611 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -3.451 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: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -20.182719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.182719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.182719 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.182468 where: bonds (distance) C4'-P energy: -4.447 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -4.171 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: 9, replica: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -18.573717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.573717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.573717 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -18.551244 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -3.588 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: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -18.863217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.863217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.863217 (E_RNA) where: Base-Base interactions energy: -5.310 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.352 local terms energy: -13.904453 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -3.665 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: 2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -21.991916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.991916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.991916 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.278 local terms energy: -19.714207 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.087 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: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -22.189533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.189533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.189533 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.189473 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -20.860781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.860781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.860781 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -20.800328 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.312 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: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -20.372771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.372771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.372771 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.372743 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.416 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: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -20.072104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.072104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.072104 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.071269 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -3.728 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: 6, replica: 1 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -19.888181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.888181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.888181 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.390 local terms energy: -19.498518 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -3.879 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: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -19.924126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.924126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.924126 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.923249 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.790 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: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -19.850350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.850350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.850350 (E_RNA) where: Base-Base interactions energy: -2.671 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -17.135323 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: 1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -20.557842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.557842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.557842 (E_RNA) where: Base-Base interactions energy: -4.589 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -15.841986 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: 1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -18.978036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.978036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.978036 (E_RNA) where: Base-Base interactions energy: -8.791 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -10.159180 where: bonds (distance) C4'-P energy: -1.127 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -0.526 tors. eta vs tors. theta energy: 2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -22.574627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.574627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.574627 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.574205 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -21.333106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.333106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.333106 (E_RNA) where: Base-Base interactions energy: 0.251 where: short stacking energy: 0.251 Base-Backbone interact. energy: -0.098 local terms energy: -21.485742 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -20.994582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.994582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.994582 (E_RNA) where: Base-Base interactions energy: -3.139 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.165 local terms energy: -17.691198 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -19.969752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.969752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.969752 (E_RNA) where: Base-Base interactions energy: -3.049 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.227 local terms energy: -16.694057 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.359 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: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -20.367297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.367297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.367297 (E_RNA) where: Base-Base interactions energy: 0.194 where: short stacking energy: 0.194 Base-Backbone interact. energy: -0.000 local terms energy: -20.561420 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -19.145534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.145534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.145534 (E_RNA) where: Base-Base interactions energy: -0.105 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -19.040588 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.965 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -19.229990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.229990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.229990 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -19.198422 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -2.864 tors. eta vs tors. theta energy: -0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -22.294084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.294084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.294084 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.294083 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -3.264 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: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -18.032959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.032959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.032959 (E_RNA) where: Base-Base interactions energy: -2.105 where: short stacking energy: 0.831 Base-Backbone interact. energy: -0.650 local terms energy: -15.277128 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -4.057 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: 0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -19.131238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.131238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.131238 (E_RNA) where: Base-Base interactions energy: -4.037 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -15.063736 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: 1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -21.730805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.730805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.730805 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.727701 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.418 flat angles P-C4'-P energy: -4.513 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: 4 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -22.107224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.107224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.107224 (E_RNA) where: Base-Base interactions energy: -2.086 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.000671 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -20.338303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.338303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.338303 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.338241 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.345 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: 4, replica: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -20.936123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.936123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.936123 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -20.913823 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -21.155666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.155666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.155666 (E_RNA) where: Base-Base interactions energy: -4.643 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -16.511787 where: bonds (distance) C4'-P energy: -3.561 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: 0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -21.729276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.729276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.729276 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -21.650575 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -18.447494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.447494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.447494 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.124 local terms energy: -18.323097 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -20.429594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.429594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.429594 (E_RNA) where: Base-Base interactions energy: 0.699 where: short stacking energy: 0.699 Base-Backbone interact. energy: 0.569 local terms energy: -21.698461 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -2.934 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -20.703931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.703931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.703931 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.703811 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -0.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -18.564093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.564093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.564093 (E_RNA) where: Base-Base interactions energy: 0.800 where: short stacking energy: 0.800 Base-Backbone interact. energy: -0.685 local terms energy: -18.679066 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -21.573663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.573663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.573663 (E_RNA) where: Base-Base interactions energy: -4.733 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -16.817378 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: 1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -21.123119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.123119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.123119 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.121503 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -20.900839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.900839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.900839 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -20.846132 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -20.604689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.604689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.604689 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -20.561779 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -21.211772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.211772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.211772 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -21.197711 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -4.152 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: 6, replica: 1 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -19.757330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.757330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.757330 (E_RNA) where: Base-Base interactions energy: 0.267 where: short stacking energy: 0.267 Base-Backbone interact. energy: -0.004 local terms energy: -20.019930 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -2.936 flat angles P-C4'-P energy: -4.407 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: 7, replica: 7 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -20.768526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.768526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.768526 (E_RNA) where: Base-Base interactions energy: -1.944 where: short stacking energy: 0.589 Base-Backbone interact. energy: -0.000 local terms energy: -18.824912 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -3.963 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -20.104024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.104024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.104024 (E_RNA) where: Base-Base interactions energy: -1.218 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.116 local terms energy: -18.770258 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: 0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -19.255495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.255495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.255495 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -19.235156 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: 0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -18.908937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.908937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.908937 (E_RNA) where: Base-Base interactions energy: 0.338 where: short stacking energy: 0.338 Base-Backbone interact. energy: -0.025 local terms energy: -19.222376 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: 0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -22.038586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.038586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.038586 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -13.553062 where: bonds (distance) C4'-P energy: -3.508 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: 2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -21.181426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.181426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.181426 (E_RNA) where: Base-Base interactions energy: -0.547 where: short stacking energy: 1.200 Base-Backbone interact. energy: -0.000 local terms energy: -20.633871 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -4.055 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: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -21.232952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.232952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.232952 (E_RNA) where: Base-Base interactions energy: -4.432 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.134 local terms energy: -16.666360 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -1.219 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: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -21.428916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.428916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.428916 (E_RNA) where: Base-Base interactions energy: -3.485 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -17.901163 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -20.312335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.312335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.312335 (E_RNA) where: Base-Base interactions energy: 0.208 where: short stacking energy: 0.208 Base-Backbone interact. energy: -0.030 local terms energy: -20.490507 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -21.199981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.199981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.199981 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.128 local terms energy: -21.071777 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.899 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: 7, replica: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -21.025608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.025608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.025608 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.024691 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -21.229178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.229178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.229178 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.229169 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -20.282055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.282055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.282055 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.282050 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.657 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: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -22.470412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.470412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.470412 (E_RNA) where: Base-Base interactions energy: 0.090 where: short stacking energy: 0.090 Base-Backbone interact. energy: -0.000 local terms energy: -22.560677 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.126 flat angles P-C4'-P energy: -4.731 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: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -21.352666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.352666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.352666 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -21.336590 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -4.820 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: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -21.004752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.004752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.004752 (E_RNA) where: Base-Base interactions energy: -0.313 where: short stacking energy: 0.035 Base-Backbone interact. energy: -0.328 local terms energy: -20.363514 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.992 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: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -21.557948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.557948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.557948 (E_RNA) where: Base-Base interactions energy: -4.664 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.796065 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.207 flat angles P-C4'-P energy: -3.839 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: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -20.679358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.679358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.679358 (E_RNA) where: Base-Base interactions energy: -1.925 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -18.639307 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.350 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: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -21.183094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.183094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.183094 (E_RNA) where: Base-Base interactions energy: -4.237 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -16.848011 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -2.763 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: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -19.869727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.869727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.869727 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.769390 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -3.262 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: 7, replica: 9 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -19.809638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.809638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.809638 (E_RNA) where: Base-Base interactions energy: -4.496 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -15.298827 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -2.931 flat angles P-C4'-P energy: -3.918 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: 8, replica: 10 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -19.692920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.692920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.692920 (E_RNA) where: Base-Base interactions energy: -3.982 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.353 local terms energy: -15.357138 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -3.246 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: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -20.480262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.480262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.480262 (E_RNA) where: Base-Base interactions energy: -1.704 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -18.756655 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -1.596 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: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -19.093686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.093686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.093686 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.092721 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -4.598 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: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -20.675365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.675365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.675365 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.667981 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -3.629 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: 2, replica: 6 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -22.995744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.995744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.995744 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.995719 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -24.854066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.854066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.854066 (E_RNA) where: Base-Base interactions energy: -5.607 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.156736 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -3.405 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: 306 Temperature: 1.050000 Total energy: -22.538411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.538411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.538411 (E_RNA) where: Base-Base interactions energy: -6.031 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.070 local terms energy: -15.437516 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -2.550 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: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -20.831699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.831699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.831699 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.831674 where: bonds (distance) C4'-P energy: -1.582 bonds (distance) P-C4' energy: -4.574 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -4.320 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: 6, replica: 4 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -19.500684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.500684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.500684 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -19.386721 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.819 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: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -20.277261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.277261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.277261 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.277248 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -20.621651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.621651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.621651 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.610414 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -3.736 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: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -19.491970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.491970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.491970 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -19.473571 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -18.965429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.965429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.965429 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.035 local terms energy: -19.430109 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -4.399 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: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -23.078520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.078520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.078520 (E_RNA) where: Base-Base interactions energy: -2.017 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -20.978432 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -4.162 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: 2, replica: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -24.746899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.746899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.746899 (E_RNA) where: Base-Base interactions energy: -3.036 where: short stacking energy: 0.585 Base-Backbone interact. energy: -0.322 local terms energy: -21.389178 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -2.707 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: 3, replica: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -21.636840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.636840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.636840 (E_RNA) where: Base-Base interactions energy: -3.158 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.473518 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -3.789 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: 4, replica: 5 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -20.658064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.658064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.658064 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.658054 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -24.489050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.489050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.489050 (E_RNA) where: Base-Base interactions energy: -2.670 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.513 local terms energy: -21.306382 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -4.164 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: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -21.680424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.680424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.680424 (E_RNA) where: Base-Base interactions energy: -1.210 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -20.470550 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -20.200307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.200307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.200307 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.192042 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -20.324627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.324627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.324627 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -20.301002 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -1.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -18.050519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.050519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.050519 (E_RNA) where: Base-Base interactions energy: -5.180 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.174 local terms energy: -12.695976 where: bonds (distance) C4'-P energy: -2.763 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.104 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: 10, replica: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -18.824869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.824869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.824869 (E_RNA) where: Base-Base interactions energy: -2.070 where: short stacking energy: 0.133 Base-Backbone interact. energy: -0.057 local terms energy: -16.698710 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -1.502 tors. eta vs tors. theta energy: -1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -21.771708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.771708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.771708 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.757 local terms energy: -21.015169 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -20.075819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.075819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.075819 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.066071 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: 0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -23.198806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.198806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.198806 (E_RNA) where: Base-Base interactions energy: -5.654 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -17.451473 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -3.573 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: 4, replica: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -21.236318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.236318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.236318 (E_RNA) where: Base-Base interactions energy: -0.279 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.957177 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -3.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -21.955707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.955707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.955707 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.017 local terms energy: -22.338446 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -4.384 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: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -20.304113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.304113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.304113 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.303092 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -22.086752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.086752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.086752 (E_RNA) where: Base-Base interactions energy: -4.613 where: short stacking energy: 0.098 Base-Backbone interact. energy: -0.092 local terms energy: -17.381089 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: 1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -19.555005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.555005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.555005 (E_RNA) where: Base-Base interactions energy: 0.071 where: short stacking energy: 0.071 Base-Backbone interact. energy: -0.000 local terms energy: -19.626149 where: bonds (distance) C4'-P energy: -3.508 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.178 flat angles P-C4'-P energy: -4.351 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: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -19.494141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.494141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.494141 (E_RNA) where: Base-Base interactions energy: -3.031 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -16.317983 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: 1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -20.061388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.061388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.061388 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.060032 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: 0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -21.968081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.968081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.968081 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.968074 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -21.786444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.786444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.786444 (E_RNA) where: Base-Base interactions energy: -5.647 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.096 local terms energy: -16.043760 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: 1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -20.781342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.781342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.781342 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -20.764518 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -3.822 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: 4, replica: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -20.535201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.535201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.535201 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.533225 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -3.569 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: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -21.288339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.288339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.288339 (E_RNA) where: Base-Base interactions energy: 0.126 where: short stacking energy: 0.126 Base-Backbone interact. energy: -0.001 local terms energy: -21.413670 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -20.536841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.536841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.536841 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.161 local terms energy: -20.376256 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -19.751773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.751773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.751773 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.746952 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: 0.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -20.837633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.837633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.837633 (E_RNA) where: Base-Base interactions energy: -3.937 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -16.892769 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -2.938 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: 9, replica: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -21.444071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.444071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.444071 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.442084 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -19.655300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.655300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.655300 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.654279 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -22.135231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.135231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.135231 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.469 local terms energy: -21.666189 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.995 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: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -22.696865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.696865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.696865 (E_RNA) where: Base-Base interactions energy: -1.317 where: short stacking energy: 0.026 Base-Backbone interact. energy: -0.091 local terms energy: -21.289132 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.513 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: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -21.152976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.152976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.152976 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.059 local terms energy: -21.193594 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -23.412491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.412491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.412491 (E_RNA) where: Base-Base interactions energy: -3.607 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.805073 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -22.461501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.461501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.461501 (E_RNA) where: Base-Base interactions energy: -5.201 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -17.167495 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -1.799 tors. eta vs tors. theta energy: 0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -21.297332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.297332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.297332 (E_RNA) where: Base-Base interactions energy: -1.522 where: short stacking energy: 0.001 Base-Backbone interact. energy: -0.641 local terms energy: -19.134572 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -3.769 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: 7, replica: 7 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -20.824024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.824024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.824024 (E_RNA) where: Base-Base interactions energy: -4.822 where: short stacking energy: 0.215 Base-Backbone interact. energy: -0.198 local terms energy: -15.803905 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -3.860 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -19.403869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.403869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.403869 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -19.361648 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -19.820262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.820262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.820262 (E_RNA) where: Base-Base interactions energy: -0.542 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.128 local terms energy: -19.150901 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -18.958716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.958716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.958716 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -18.872222 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: 0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -21.293338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.293338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.293338 (E_RNA) where: Base-Base interactions energy: -6.540 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.222 local terms energy: -14.530715 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.558 flat angles P-C4'-P energy: -3.976 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: 2, replica: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -21.635240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.635240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.635240 (E_RNA) where: Base-Base interactions energy: -4.648 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -16.841672 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: 2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -20.639955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.639955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.639955 (E_RNA) where: Base-Base interactions energy: -2.200 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.436950 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -2.228 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: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -20.235657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.235657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.235657 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -20.168539 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -4.760 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: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -21.592474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.592474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.592474 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.592474 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -20.341441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.341441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.341441 (E_RNA) where: Base-Base interactions energy: 0.023 where: short stacking energy: 0.023 Base-Backbone interact. energy: -0.000 local terms energy: -20.363875 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -18.994362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.994362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.994362 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -18.957992 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.197 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: 8, replica: 1 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -20.729853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.729853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.729853 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.729801 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -21.189483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.189483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.189483 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.181871 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -2.700 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: 10, replica: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -18.830015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.830015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.830015 (E_RNA) where: Base-Base interactions energy: -1.229 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.089 local terms energy: -17.511450 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.733 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -22.183109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.183109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.183109 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -22.092000 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -4.683 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: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -21.351368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.351368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.351368 (E_RNA) where: Base-Base interactions energy: 0.166 where: short stacking energy: 0.166 Base-Backbone interact. energy: -0.001 local terms energy: -21.516854 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -21.871124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.871124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.871124 (E_RNA) where: Base-Base interactions energy: 0.099 where: short stacking energy: 0.099 Base-Backbone interact. energy: -0.799 local terms energy: -21.170722 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.943 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: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -20.395181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.395181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.395181 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.380186 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: 0.230 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: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -20.285258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.285258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.285258 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.285255 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -20.133722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.133722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.133722 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -20.233668 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -21.015382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.015382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.015382 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -20.969167 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -3.799 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: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -20.552126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.552126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.552126 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.552096 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -3.313 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: 9, replica: 4 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -19.442660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.442660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.442660 (E_RNA) where: Base-Base interactions energy: -0.348 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -18.999332 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -18.981320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.981320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.981320 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -18.959759 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -2.141 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -23.209386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.209386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.209386 (E_RNA) where: Base-Base interactions energy: -5.462 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -17.652387 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.715 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -24.330910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.330910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.330910 (E_RNA) where: Base-Base interactions energy: -5.715 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.610633 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: 0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -20.727219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727219 (E_RNA) where: Base-Base interactions energy: 0.013 where: short stacking energy: 0.013 Base-Backbone interact. energy: -1.644 local terms energy: -19.096461 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -3.234 flat angles P-C4'-P energy: -3.186 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: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -21.153064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.153064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.153064 (E_RNA) where: Base-Base interactions energy: -2.589 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.564161 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -2.873 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: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -19.891310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.891310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.891310 (E_RNA) where: Base-Base interactions energy: -1.646 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -18.099933 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -2.172 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: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -22.837391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.837391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.837391 (E_RNA) where: Base-Base interactions energy: -5.871 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -16.955243 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -2.116 tors. eta vs tors. theta energy: -0.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -20.090233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.090233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.090233 (E_RNA) where: Base-Base interactions energy: -1.084 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -18.975064 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: 0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -21.925628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.925628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.925628 (E_RNA) where: Base-Base interactions energy: -2.076 where: short stacking energy: 0.279 Base-Backbone interact. energy: -0.001 local terms energy: -19.848910 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -2.733 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: 9, replica: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -20.135459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.135459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.135459 (E_RNA) where: Base-Base interactions energy: -2.006 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.128130 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: 0.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -20.536731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.536731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.536731 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.378 local terms energy: -20.914347 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.612 flat angles P-C4'-P energy: -4.112 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: 1, replica: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -22.407505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.407505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.407505 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -22.399982 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -4.391 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: 2, replica: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -21.133713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.133713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.133713 (E_RNA) where: Base-Base interactions energy: -3.327 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.545 local terms energy: -18.351483 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -2.371 tors. eta vs tors. theta energy: -0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -22.483837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.483837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.483837 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -22.462647 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -4.248 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: 4, replica: 5 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -20.727319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727319 (E_RNA) where: Base-Base interactions energy: 0.831 where: short stacking energy: 0.831 Base-Backbone interact. energy: -0.000 local terms energy: -21.558557 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -20.719903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.719903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.719903 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.719570 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -4.191 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: 6, replica: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -19.243669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.243669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.243669 (E_RNA) where: Base-Base interactions energy: -2.403 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.039 local terms energy: -16.801589 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: 1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -20.878672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.878672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.878672 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -20.842750 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -4.017 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: 8, replica: 3 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -18.410600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.410600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.410600 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.140 local terms energy: -18.270411 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: 2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -18.591966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.591966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.591966 (E_RNA) where: Base-Base interactions energy: -1.154 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.977 local terms energy: -18.415424 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.752 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: 1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -19.015982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.015982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.015982 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -18.918920 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -3.283 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -22.151418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.151418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.151418 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -22.045949 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -21.706915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.706915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.706915 (E_RNA) where: Base-Base interactions energy: -3.551 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -18.025168 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.937 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: 3, replica: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -21.622732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.622732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.622732 (E_RNA) where: Base-Base interactions energy: -2.601 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.135 local terms energy: -18.886696 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -3.759 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: 4, replica: 1 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -21.532471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.532471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.532471 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -21.491890 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -21.722573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.722573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.722573 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.721435 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -1.160 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: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -22.457243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.457243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.457243 (E_RNA) where: Base-Base interactions energy: -3.028 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.425176 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -20.914819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.914819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.914819 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.554 local terms energy: -19.360717 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -18.613689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.613689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.613689 (E_RNA) where: Base-Base interactions energy: -1.318 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.202 local terms energy: -17.094158 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: 0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -21.977690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.977690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.977690 (E_RNA) where: Base-Base interactions energy: -5.003 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -16.965300 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -1.978 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: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -19.789773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.789773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.789773 (E_RNA) where: Base-Base interactions energy: -4.040 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -15.719234 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -2.461 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: 1, replica: 7 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -20.483650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.483650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.483650 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -20.329917 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -20.980728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.980728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.980728 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.980724 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.911 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: 3, replica: 1 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -20.943638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.943638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.943638 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.936260 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -4.654 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: 4, replica: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -20.576656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.576656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.576656 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.182 local terms energy: -20.394752 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -1.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -22.229180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.229180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.229180 (E_RNA) where: Base-Base interactions energy: -2.239 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -19.930982 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -4.004 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.740 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: 6, replica: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -19.959860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.959860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.959860 (E_RNA) where: Base-Base interactions energy: -5.059 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.483 local terms energy: -15.383147 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -3.594 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: 7, replica: 10 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -20.479026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.479026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.479026 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -20.414524 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: 0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -19.760881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.760881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.760881 (E_RNA) where: Base-Base interactions energy: 0.264 where: short stacking energy: 0.264 Base-Backbone interact. energy: -0.002 local terms energy: -20.022388 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.884 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: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -20.422446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.422446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.422446 (E_RNA) where: Base-Base interactions energy: 0.482 where: short stacking energy: 0.482 Base-Backbone interact. energy: -0.000 local terms energy: -20.904103 where: bonds (distance) C4'-P energy: -4.236 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -18.399566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.399566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.399566 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -18.354057 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: 0.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -20.620267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.620267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.620267 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.429 local terms energy: -20.191412 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.570 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: 2, replica: 1 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -20.448603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.448603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.448603 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.448482 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.854 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: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -21.269300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.269300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.269300 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.267954 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -4.450 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: 4, replica: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -22.149522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.149522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.149522 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.147428 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -2.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -21.720325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.720325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.720325 (E_RNA) where: Base-Base interactions energy: -4.769 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -16.946275 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -1.888 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: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -22.091041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.091041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.091041 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.089813 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -4.639 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: 10 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -21.576096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.576096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.576096 (E_RNA) where: Base-Base interactions energy: -4.777 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -16.698909 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.583 flat angles P-C4'-P energy: -3.932 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: 8, replica: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -19.253190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.253190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.253190 (E_RNA) where: Base-Base interactions energy: -0.359 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -18.884329 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.089 flat angles P-C4'-P energy: -4.702 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: 9, replica: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -17.769919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.769919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.769919 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -17.711216 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: 1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -19.845842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.845842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.845842 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -19.775907 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -1.780 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -22.375152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.375152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.375152 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -22.369879 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.074 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: 2, replica: 7 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -21.187008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.187008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.187008 (E_RNA) where: Base-Base interactions energy: 0.058 where: short stacking energy: 0.058 Base-Backbone interact. energy: -0.002 local terms energy: -21.243331 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -3.039 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: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -20.900915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.900915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.900915 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.900915 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -2.871 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: 4, replica: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -23.347402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.347402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.347402 (E_RNA) where: Base-Base interactions energy: -2.431 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.915899 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -1.049 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: 5, replica: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -19.983033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.983033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.983033 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.982954 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -4.398 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: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -20.551164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.551164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.551164 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -20.436237 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -2.190 tors. eta vs tors. theta energy: -1.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -20.385565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.385565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.385565 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.385335 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -19.642353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.642353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.642353 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -19.842116 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -23.335737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.335737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.335737 (E_RNA) where: Base-Base interactions energy: -5.707 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -17.617718 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -3.221 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: 10, replica: 6 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -18.476042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.476042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.476042 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -18.459160 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -21.759616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.759616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.759616 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.759285 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -21.411594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.411594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.411594 (E_RNA) where: Base-Base interactions energy: -2.081 where: short stacking energy: 0.011 Base-Backbone interact. energy: -0.091 local terms energy: -19.239999 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -0.182 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: 7 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -20.818583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.818583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.818583 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -20.767986 where: bonds (distance) C4'-P energy: -3.884 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -22.541810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.541810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.541810 (E_RNA) where: Base-Base interactions energy: -5.555 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.132 local terms energy: -16.854679 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -2.441 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: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -20.614030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.614030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.614030 (E_RNA) where: Base-Base interactions energy: -1.270 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.342197 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -21.558028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.558028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.558028 (E_RNA) where: Base-Base interactions energy: -0.654 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.904199 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -21.217802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.217802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.217802 (E_RNA) where: Base-Base interactions energy: -2.641 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.696 local terms energy: -17.881272 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: 2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -19.841775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.841775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.841775 (E_RNA) where: Base-Base interactions energy: 0.585 where: short stacking energy: 0.585 Base-Backbone interact. energy: -0.097 local terms energy: -20.329248 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -4.506 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: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -19.398076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.398076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.398076 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.308351 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -0.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -22.940825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.940825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.940825 (E_RNA) where: Base-Base interactions energy: -5.225 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.246 local terms energy: -17.469626 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -3.246 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: 1, replica: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -22.878983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.878983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.878983 (E_RNA) where: Base-Base interactions energy: -4.079 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.800141 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -1.603 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -21.194183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.194183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.194183 (E_RNA) where: Base-Base interactions energy: -3.147 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -17.935636 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.685 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: 0.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -21.197520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.197520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.197520 (E_RNA) where: Base-Base interactions energy: -1.384 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -19.712332 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -20.670069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.670069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.670069 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.670061 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -3.380 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: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -24.480420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.480420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.480420 (E_RNA) where: Base-Base interactions energy: -4.295 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -20.094270 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -18.683404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.683404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.683404 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.275 local terms energy: -18.408179 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: 0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -21.606364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.606364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.606364 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.606344 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.414 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: 8, replica: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -18.760930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.760930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.760930 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -18.751218 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -4.667 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: 9, replica: 6 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -21.424517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.424517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.424517 (E_RNA) where: Base-Base interactions energy: -4.103 where: short stacking energy: 0.048 Base-Backbone interact. energy: -0.078 local terms energy: -17.243461 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.854 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: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -19.320311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.320311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.320311 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.128 local terms energy: -19.192670 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: 0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -21.843475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.843475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.843475 (E_RNA) where: Base-Base interactions energy: 0.516 where: short stacking energy: 0.516 Base-Backbone interact. energy: -0.000 local terms energy: -22.359056 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.523 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: 2, replica: 7 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -20.605668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.605668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.605668 (E_RNA) where: Base-Base interactions energy: -0.514 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.455 local terms energy: -19.636450 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: 1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -21.327945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.327945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.327945 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -21.319023 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -3.725 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: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -19.690596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.690596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.690596 (E_RNA) where: Base-Base interactions energy: 0.675 where: short stacking energy: 0.675 Base-Backbone interact. energy: 0.770 local terms energy: -21.135734 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -3.558 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: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -21.440478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.440478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.440478 (E_RNA) where: Base-Base interactions energy: -4.348 where: short stacking energy: 0.492 Base-Backbone interact. energy: -0.009 local terms energy: -17.083505 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -3.080 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: 6, replica: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -21.201655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.201655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.201655 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.201472 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.165 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: 7, replica: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -18.576842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.576842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.576842 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.182 local terms energy: -18.394499 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -2.377 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: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -19.654243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.654243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.654243 (E_RNA) where: Base-Base interactions energy: -4.041 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -15.568648 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.474 tors. eta vs tors. theta energy: 2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -18.616453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.616453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.616453 (E_RNA) where: Base-Base interactions energy: -4.546 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -14.024977 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -3.588 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: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -18.240843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.240843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.240843 (E_RNA) where: Base-Base interactions energy: -2.078 where: short stacking energy: 0.319 Base-Backbone interact. energy: -0.002 local terms energy: -16.160535 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -1.761 tors. eta vs tors. theta energy: -1.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -22.565602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.565602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.565602 (E_RNA) where: Base-Base interactions energy: -3.266 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -19.274490 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -0.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -20.401473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.401473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.401473 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -20.359737 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -3.288 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: 3, replica: 2 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -24.311165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.311165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.311165 (E_RNA) where: Base-Base interactions energy: -5.192 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -19.060016 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -20.260915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.260915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.260915 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.255137 where: bonds (distance) C4'-P energy: -4.385 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -20.053025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.053025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.053025 (E_RNA) where: Base-Base interactions energy: 0.222 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -20.150173 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -20.503763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.503763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.503763 (E_RNA) where: Base-Base interactions energy: -5.329 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -15.095707 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -2.913 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: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -20.044744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.044744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.044744 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.932 local terms energy: -19.112432 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -19.241171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.241171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.241171 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.001 local terms energy: -19.340034 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -21.710367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.710367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.710367 (E_RNA) where: Base-Base interactions energy: -4.179 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -17.433989 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -2.929 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: 10, replica: 9 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -19.648702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.648702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.648702 (E_RNA) where: Base-Base interactions energy: -3.039 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -16.609516 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.019 flat angles P-C4'-P energy: -2.315 tors. eta vs tors. theta energy: -0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -23.156815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.156815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.156815 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.162 local terms energy: -22.995195 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -2.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -20.696750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.696750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.696750 (E_RNA) where: Base-Base interactions energy: -0.528 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -20.082731 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -21.199438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.199438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.199438 (E_RNA) where: Base-Base interactions energy: 0.395 where: short stacking energy: 0.395 Base-Backbone interact. energy: -0.080 local terms energy: -21.514525 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -21.634230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.634230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.634230 (E_RNA) where: Base-Base interactions energy: -0.260 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.771 local terms energy: -20.603339 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.653 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: 5, replica: 1 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -23.005895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.005895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.005895 (E_RNA) where: Base-Base interactions energy: -5.431 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -17.474698 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -3.926 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: 6, replica: 6 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -20.315349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.315349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.315349 (E_RNA) where: Base-Base interactions energy: 0.137 where: short stacking energy: 0.137 Base-Backbone interact. energy: -0.001 local terms energy: -20.451883 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -20.214101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.214101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.214101 (E_RNA) where: Base-Base interactions energy: 0.231 where: short stacking energy: 0.231 Base-Backbone interact. energy: -0.000 local terms energy: -20.444956 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -3.700 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: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -19.677258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.677258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.677258 (E_RNA) where: Base-Base interactions energy: 0.115 where: short stacking energy: 0.115 Base-Backbone interact. energy: -0.101 local terms energy: -19.691202 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -4.739 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: 9, replica: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -21.579759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.579759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.579759 (E_RNA) where: Base-Base interactions energy: -4.950 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -16.625583 where: bonds (distance) C4'-P energy: -1.776 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.152 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: 10, replica: 9 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -19.374569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.374569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.374569 (E_RNA) where: Base-Base interactions energy: -5.344 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -13.871254 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: 4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -22.807120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.807120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.807120 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.805514 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -21.362611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.362611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.362611 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.362607 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -22.052555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.052555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.052555 (E_RNA) where: Base-Base interactions energy: -1.577 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.251 local terms energy: -20.223850 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.544 flat angles P-C4'-P energy: -4.139 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: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -22.104208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.104208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.104208 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.104005 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -20.316639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.316639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.316639 (E_RNA) where: Base-Base interactions energy: 0.413 where: short stacking energy: 0.413 Base-Backbone interact. energy: -0.002 local terms energy: -20.728031 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.229 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: 6, replica: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -20.293712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.293712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.293712 (E_RNA) where: Base-Base interactions energy: -4.320 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -15.809122 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: 2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -20.784649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.784649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.784649 (E_RNA) where: Base-Base interactions energy: 0.265 where: short stacking energy: 0.265 Base-Backbone interact. energy: -0.483 local terms energy: -20.565969 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -20.524990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.524990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.524990 (E_RNA) where: Base-Base interactions energy: -5.336 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.155 local terms energy: -15.033789 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: 0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -18.993815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.993815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.993815 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.993766 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -4.195 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: 10, replica: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -20.052125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.052125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.052125 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.047750 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -4.287 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: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -20.848886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.848886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.848886 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.111 local terms energy: -20.960334 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -21.426266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.426266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.426266 (E_RNA) where: Base-Base interactions energy: -1.301 where: short stacking energy: 0.206 Base-Backbone interact. energy: -0.573 local terms energy: -19.552258 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: 0.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -22.381894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.381894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.381894 (E_RNA) where: Base-Base interactions energy: 0.253 where: short stacking energy: 0.253 Base-Backbone interact. energy: -0.009 local terms energy: -22.626759 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -22.007020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.007020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.007020 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.007020 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.520 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: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -22.670238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.670238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.670238 (E_RNA) where: Base-Base interactions energy: -4.194 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.291 local terms energy: -18.185401 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: 0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -19.583616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.583616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.583616 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -19.498369 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -3.903 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: 325 Temperature: 1.200000 Total energy: -19.482200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.482200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.482200 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.482200 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.754 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -18.745415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.745415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.745415 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -18.636626 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -20.219625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.219625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.219625 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.219211 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -18.752586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.752586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.752586 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.750958 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -2.787 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: 1, replica: 7 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -21.364942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.364942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.364942 (E_RNA) where: Base-Base interactions energy: 0.106 where: short stacking energy: 0.106 Base-Backbone interact. energy: -0.055 local terms energy: -21.415460 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -21.305839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.305839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.305839 (E_RNA) where: Base-Base interactions energy: -0.086 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -21.207499 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -20.735291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.735291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.735291 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -20.713039 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -4.408 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: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -22.119475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.119475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.119475 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.119377 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.362 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -22.038942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.038942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.038942 (E_RNA) where: Base-Base interactions energy: -3.903 where: short stacking energy: 1.284 Base-Backbone interact. energy: -0.055 local terms energy: -18.080289 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -21.611318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.611318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.611318 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -21.512980 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -2.701 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: 9 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -20.520382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.520382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.520382 (E_RNA) where: Base-Base interactions energy: -4.877 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -15.610101 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: 1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -19.194302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.194302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.194302 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.188183 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -2.432 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -19.691766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.691766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.691766 (E_RNA) where: Base-Base interactions energy: 0.700 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.005 local terms energy: -20.386599 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -18.060268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.060268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.060268 (E_RNA) where: Base-Base interactions energy: 0.331 where: short stacking energy: 0.331 Base-Backbone interact. energy: -0.422 local terms energy: -17.969787 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -1.768 flat angles P-C4'-P energy: -4.294 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: 7 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -23.980098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.980098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.980098 (E_RNA) where: Base-Base interactions energy: -4.575 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.047 local terms energy: -19.358021 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.121 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -23.919374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.919374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.919374 (E_RNA) where: Base-Base interactions energy: -2.659 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -21.161029 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.512 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: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -22.017028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.017028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.017028 (E_RNA) where: Base-Base interactions energy: -1.497 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.520197 where: bonds (distance) C4'-P energy: -4.687 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -1.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -21.789379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.789379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.789379 (E_RNA) where: Base-Base interactions energy: -3.861 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.428 local terms energy: -17.500600 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: -0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -20.025755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.025755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.025755 (E_RNA) where: Base-Base interactions energy: -2.938 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.452 local terms energy: -16.635820 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: 1.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -21.166185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.166185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.166185 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -21.117862 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.771 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: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -20.702712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.702712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.702712 (E_RNA) where: Base-Base interactions energy: -3.698 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -16.859840 where: bonds (distance) C4'-P energy: -3.065 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: 0.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -20.485054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.485054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.485054 (E_RNA) where: Base-Base interactions energy: -2.441 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -17.978355 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -3.670 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: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -19.383392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.383392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.383392 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.211 local terms energy: -18.172525 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: 2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -19.720829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.720829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.720829 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -19.622812 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -21.925345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.925345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.925345 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.320 local terms energy: -20.605703 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -2.164 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: 2, replica: 7 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -22.583500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.583500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.583500 (E_RNA) where: Base-Base interactions energy: -0.145 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.439 local terms energy: -20.999758 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -20.993873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.993873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.993873 (E_RNA) where: Base-Base interactions energy: 0.495 where: short stacking energy: 0.495 Base-Backbone interact. energy: -0.054 local terms energy: -21.434194 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -2.503 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: 4, replica: 3 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -20.332416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.332416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.332416 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.332410 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: 0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -21.506616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.506616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.506616 (E_RNA) where: Base-Base interactions energy: -2.028 where: short stacking energy: 0.314 Base-Backbone interact. energy: -0.000 local terms energy: -19.478092 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -3.930 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: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -19.285882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.285882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.285882 (E_RNA) where: Base-Base interactions energy: -1.024 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -18.181312 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -19.994794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.994794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.994794 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -20.294766 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.508 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: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -19.384014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.384014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.384014 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.019 local terms energy: -19.403059 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: 0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -19.642112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.642112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.642112 (E_RNA) where: Base-Base interactions energy: -4.393 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -15.103418 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.070 flat angles P-C4'-P energy: -2.086 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: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -19.460988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.460988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.460988 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.460878 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -3.207 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: 1, replica: 6 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -23.009552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.009552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.009552 (E_RNA) where: Base-Base interactions energy: -5.876 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -17.043401 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: 0.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -20.741658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.741658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.741658 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.994 local terms energy: -19.747586 where: bonds (distance) C4'-P energy: -3.163 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -20.516553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.516553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.516553 (E_RNA) where: Base-Base interactions energy: -3.223 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -17.244714 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.409 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -2.792 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: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -21.056629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.056629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.056629 (E_RNA) where: Base-Base interactions energy: -3.254 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -17.706006 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: 0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -21.587312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.587312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.587312 (E_RNA) where: Base-Base interactions energy: -2.834 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.653842 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.869 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: 6, replica: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -21.208462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.208462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.208462 (E_RNA) where: Base-Base interactions energy: -4.538 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -16.647290 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: 1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -21.475906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.475906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.475906 (E_RNA) where: Base-Base interactions energy: -4.061 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -17.278067 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -19.950619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.950619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.950619 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.216 local terms energy: -19.734751 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: 1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -19.275372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.275372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.275372 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -19.217752 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.032 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: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -19.856081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.856081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.856081 (E_RNA) where: Base-Base interactions energy: 0.367 where: short stacking energy: 0.367 Base-Backbone interact. energy: -0.008 local terms energy: -20.215929 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -3.920 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: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -23.041749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.041749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.041749 (E_RNA) where: Base-Base interactions energy: -5.676 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.218 local terms energy: -17.148021 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: 1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -21.802936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.802936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.802936 (E_RNA) where: Base-Base interactions energy: -7.189 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -14.472470 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.036 flat angles P-C4'-P energy: -3.192 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: 3, replica: 9 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -20.422249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.422249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.422249 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.421924 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -4.608 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: 4, replica: 7 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -22.677870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.677870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.677870 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.677273 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -4.377 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: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -22.104654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.104654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.104654 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -22.101781 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -20.623313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.623313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.623313 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.623212 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -2.984 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: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -20.548195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.548195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.548195 (E_RNA) where: Base-Base interactions energy: -0.881 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.665106 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: 1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -19.481535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.481535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.481535 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.381255 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: 1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -19.350141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.350141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.350141 (E_RNA) where: Base-Base interactions energy: -2.493 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -16.806309 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.113 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -0.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -20.337450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.337450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.337450 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.336585 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -1.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -23.180016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.180016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.180016 (E_RNA) where: Base-Base interactions energy: 0.246 where: short stacking energy: 0.246 Base-Backbone interact. energy: -0.000 local terms energy: -23.425716 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -4.730 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: 2, replica: 9 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -21.707440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.707440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.707440 (E_RNA) where: Base-Base interactions energy: -4.945 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -16.741686 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -2.888 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: 3, replica: 6 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -20.708000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.708000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.708000 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -20.624302 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -19.543585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.543585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.543585 (E_RNA) where: Base-Base interactions energy: -1.637 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.905996 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.615 flat angles P-C4'-P energy: -4.395 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: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -20.054303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.054303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.054303 (E_RNA) where: Base-Base interactions energy: -4.882 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.372 local terms energy: -15.543403 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -19.887971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.887971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.887971 (E_RNA) where: Base-Base interactions energy: -2.861 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -16.947572 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: 0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -18.835189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.835189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.835189 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -18.741566 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -2.433 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: 8, replica: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -21.034275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.034275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.034275 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.034273 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -20.286535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.286535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.286535 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.285668 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -1.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -19.576169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.576169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.576169 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -19.526636 where: bonds (distance) C4'-P energy: -2.575 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -22.468134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.468134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.468134 (E_RNA) where: Base-Base interactions energy: 0.023 where: short stacking energy: 0.023 Base-Backbone interact. energy: -0.029 local terms energy: -22.461880 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -20.953324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.953324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.953324 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.007 local terms energy: -20.969739 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -3.283 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -2.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -21.708666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.708666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.708666 (E_RNA) where: Base-Base interactions energy: -1.908 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.800110 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.746 flat angles P-C4'-P energy: -3.506 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: 4, replica: 6 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -20.596895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.596895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.596895 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.000 local terms energy: -21.096871 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -20.897098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.897098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.897098 (E_RNA) where: Base-Base interactions energy: 1.219 where: short stacking energy: 1.219 Base-Backbone interact. energy: -0.007 local terms energy: -22.109561 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: -3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -22.418730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.418730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.418730 (E_RNA) where: Base-Base interactions energy: -4.542 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.455 local terms energy: -17.422309 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.513 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: 7, replica: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -19.591628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.591628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.591628 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.216 local terms energy: -19.375681 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: 0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -18.938545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.938545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.938545 (E_RNA) where: Base-Base interactions energy: -1.176 where: short stacking energy: 0.224 Base-Backbone interact. energy: -0.002 local terms energy: -17.760379 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.278 flat angles P-C4'-P energy: -1.928 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -19.303480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.303480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.303480 (E_RNA) where: Base-Base interactions energy: -3.719 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -15.487249 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -0.730 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: 1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -21.150167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.150167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.150167 (E_RNA) where: Base-Base interactions energy: -5.452 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -15.622896 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -2.350 tors. eta vs tors. theta energy: 2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -21.675982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.675982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.675982 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.085 local terms energy: -21.591307 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -25.889776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.889776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.889776 (E_RNA) where: Base-Base interactions energy: -5.269 where: short stacking energy: 0.911 Base-Backbone interact. energy: -0.069 local terms energy: -20.551491 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -20.205059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.205059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.205059 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.201923 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -20.772379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.772379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.772379 (E_RNA) where: Base-Base interactions energy: -2.922 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -17.842505 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: 0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -21.074747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.074747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.074747 (E_RNA) where: Base-Base interactions energy: -1.835 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.229944 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.202 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: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -23.092014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.092014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.092014 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.091998 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -20.005292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.005292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.005292 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.969879 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -19.001467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.001467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.001467 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.433 local terms energy: -18.568499 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -19.631233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.631233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.631233 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.582800 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -3.856 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: 2 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -20.826393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.826393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.826393 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.826299 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.291 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: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -19.892483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.892483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.892483 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.892358 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.194 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: 2, replica: 9 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -20.689380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.689380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.689380 (E_RNA) where: Base-Base interactions energy: -0.879 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.789484 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -2.074 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -20.414028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.414028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.414028 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.201 local terms energy: -20.213253 where: bonds (distance) C4'-P energy: -3.516 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -22.802725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.802725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.802725 (E_RNA) where: Base-Base interactions energy: 0.025 where: short stacking energy: 0.025 Base-Backbone interact. energy: -0.001 local terms energy: -22.827114 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -2.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -23.122647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.122647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.122647 (E_RNA) where: Base-Base interactions energy: -5.665 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -17.390814 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.324 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: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -19.211935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.211935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.211935 (E_RNA) where: Base-Base interactions energy: 0.321 where: short stacking energy: 0.321 Base-Backbone interact. energy: -0.000 local terms energy: -19.532492 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -4.191 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: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -20.080252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.080252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.080252 (E_RNA) where: Base-Base interactions energy: 0.014 where: short stacking energy: 0.014 Base-Backbone interact. energy: -0.260 local terms energy: -19.834772 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.936 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: 8, replica: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -19.258266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.258266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.258266 (E_RNA) where: Base-Base interactions energy: -2.053 where: short stacking energy: 0.118 Base-Backbone interact. energy: -0.114 local terms energy: -17.091666 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.071 flat angles P-C4'-P energy: -3.638 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: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -21.743658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.743658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.743658 (E_RNA) where: Base-Base interactions energy: -3.768 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -17.910611 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -19.602181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.602181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.602181 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.077 local terms energy: -18.525424 where: bonds (distance) C4'-P energy: -3.043 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -21.858345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.858345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.858345 (E_RNA) where: Base-Base interactions energy: -5.688 where: short stacking energy: 0.008 Base-Backbone interact. energy: -0.283 local terms energy: -15.888115 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.469 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: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -21.500201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.500201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.500201 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.499954 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -2.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -20.060442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.060442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.060442 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.053534 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: 0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -20.327545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.327545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.327545 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -20.263398 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -3.376 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: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -20.527762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.527762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.527762 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.396 local terms energy: -18.131544 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: 0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -20.840865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.840865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.840865 (E_RNA) where: Base-Base interactions energy: -2.203 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.146 local terms energy: -18.491657 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -3.737 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: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -19.897002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.897002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.897002 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -19.819171 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -19.708623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.708623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.708623 (E_RNA) where: Base-Base interactions energy: -2.450 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -17.216981 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -1.819 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: 9, replica: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -19.759991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.759991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.759991 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.759990 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: 0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -19.210369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.210369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.210369 (E_RNA) where: Base-Base interactions energy: 0.139 where: short stacking energy: 0.139 Base-Backbone interact. energy: -0.000 local terms energy: -19.349822 where: bonds (distance) C4'-P energy: -3.359 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -4.133 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: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -22.217362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.217362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.217362 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.216555 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -21.912717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.912717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.912717 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.912713 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.464 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: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -20.901427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.901427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.901427 (E_RNA) where: Base-Base interactions energy: 0.717 where: short stacking energy: 0.717 Base-Backbone interact. energy: -0.000 local terms energy: -21.618648 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -4.025 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: 4, replica: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -20.496133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.496133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.496133 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.971 local terms energy: -19.524657 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -25.015473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.015473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.015473 (E_RNA) where: Base-Base interactions energy: -3.742 where: short stacking energy: 0.085 Base-Backbone interact. energy: -0.005 local terms energy: -21.268626 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -3.974 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: 6, replica: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -21.915035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.915035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.915035 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.915032 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -20.709958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.709958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.709958 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.709953 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -20.467561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.467561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.467561 (E_RNA) where: Base-Base interactions energy: -4.377 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -15.983217 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -4.668 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: 336 Temperature: 1.300000 Total energy: -19.617701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.617701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.617701 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.750 local terms energy: -18.867643 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -3.445 tors. eta vs tors. theta energy: -0.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -19.631633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.631633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.631633 (E_RNA) where: Base-Base interactions energy: -0.087 where: short stacking energy: 1.304 Base-Backbone interact. energy: -0.098 local terms energy: -19.446181 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -2.012 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: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -23.815973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.815973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.815973 (E_RNA) where: Base-Base interactions energy: -3.943 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.866615 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -26.287948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.287948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.287948 (E_RNA) where: Base-Base interactions energy: -4.273 where: short stacking energy: 0.119 Base-Backbone interact. energy: -0.002 local terms energy: -22.013357 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -19.944250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.944250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.944250 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.943271 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -3.982 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: 4, replica: 4 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -22.820429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.820429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.820429 (E_RNA) where: Base-Base interactions energy: -2.052 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -20.706533 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -20.137781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.137781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.137781 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.127921 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.224 tors. eta vs tors. theta energy: -0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -22.223131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.223131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.223131 (E_RNA) where: Base-Base interactions energy: -1.093 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.130406 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -20.582104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.582104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.582104 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.566267 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -4.561 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: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -19.772106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.772106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.772106 (E_RNA) where: Base-Base interactions energy: 0.237 where: short stacking energy: 0.735 Base-Backbone interact. energy: -0.001 local terms energy: -20.008548 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -0.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -19.701922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.701922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.701922 (E_RNA) where: Base-Base interactions energy: -5.715 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -13.959958 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -1.622 tors. eta vs tors. theta energy: 1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -19.219617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.219617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.219617 (E_RNA) where: Base-Base interactions energy: 0.699 where: short stacking energy: 0.699 Base-Backbone interact. energy: -0.030 local terms energy: -19.888516 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -2.367 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -22.498704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.498704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.498704 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -2.066 local terms energy: -20.432416 where: bonds (distance) C4'-P energy: -3.955 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -21.419527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.419527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.419527 (E_RNA) where: Base-Base interactions energy: -5.727 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.164 local terms energy: -15.528486 where: bonds (distance) C4'-P energy: -4.021 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -1.934 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: 3, replica: 4 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -22.385543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.385543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.385543 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.385117 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -21.506984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.506984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.506984 (E_RNA) where: Base-Base interactions energy: -5.028 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -16.460458 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -3.507 flat angles P-C4'-P energy: -2.577 tors. eta vs tors. theta energy: -0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -21.329883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.329883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.329883 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.328030 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -4.104 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: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -21.817234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.817234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.817234 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.814803 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -20.171717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.171717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.171717 (E_RNA) where: Base-Base interactions energy: -5.859 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.312 local terms energy: -14.000051 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -2.584 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: 2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -20.640154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.640154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.640154 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.640151 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -20.993326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.993326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.993326 (E_RNA) where: Base-Base interactions energy: -0.064 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.919652 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -19.643778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.643778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.643778 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -19.521204 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -3.072 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: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -24.170988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.170988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.170988 (E_RNA) where: Base-Base interactions energy: -0.074 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -24.093317 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -21.473775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.473775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.473775 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -21.418710 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -22.954586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.954586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.954586 (E_RNA) where: Base-Base interactions energy: -5.040 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.461 local terms energy: -18.375114 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.339 flat angles P-C4'-P energy: -4.504 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: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -20.449101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.449101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.449101 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.428426 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -2.981 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: 5, replica: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -22.028107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.028107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.028107 (E_RNA) where: Base-Base interactions energy: -1.737 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.327 local terms energy: -19.964004 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -3.160 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: 6, replica: 3 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -21.874445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.874445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.874445 (E_RNA) where: Base-Base interactions energy: -2.713 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -19.093535 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -3.500 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: 7, replica: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -19.943440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.943440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.943440 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -19.898652 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -20.123381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.123381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.123381 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.119884 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -1.320 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: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -19.344070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.344070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.344070 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.343942 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -19.541635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.541635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.541635 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -19.460029 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -2.445 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -20.612393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.612393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.612393 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -20.561325 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -22.024173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.024173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.024173 (E_RNA) where: Base-Base interactions energy: 0.315 where: short stacking energy: 0.315 Base-Backbone interact. energy: -0.000 local terms energy: -22.338357 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -21.791197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.791197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.791197 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.790855 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.720 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: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -19.300127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.300127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.300127 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.300106 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.452 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: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -20.482473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.482473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.482473 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -20.384741 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -24.115527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.115527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.115527 (E_RNA) where: Base-Base interactions energy: -5.649 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -18.427504 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.409 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -24.200187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.200187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.200187 (E_RNA) where: Base-Base interactions energy: -4.301 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -19.723280 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.838 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -19.155456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.155456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.155456 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.055099 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -2.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -20.618231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.618231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.618231 (E_RNA) where: Base-Base interactions energy: -5.607 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -14.957377 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: 1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -19.303301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.303301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.303301 (E_RNA) where: Base-Base interactions energy: -1.631 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -17.665484 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -0.825 tors. eta vs tors. theta energy: -1.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -20.922183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.922183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.922183 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -20.857491 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -0.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -25.169633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.169633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.169633 (E_RNA) where: Base-Base interactions energy: -8.614 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -16.428607 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: 1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -20.788139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.788139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.788139 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.788098 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -22.191106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.191106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.191106 (E_RNA) where: Base-Base interactions energy: -3.957 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -18.174834 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.190 flat angles P-C4'-P energy: -3.535 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: 5, replica: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -22.565651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.565651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.565651 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.001 local terms energy: -22.665127 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -20.658768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.658768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.658768 (E_RNA) where: Base-Base interactions energy: 0.600 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.002 local terms energy: -21.256281 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.151 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: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -19.569822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.569822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.569822 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.301 local terms energy: -19.269038 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: 1.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -18.154427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.154427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.154427 (E_RNA) where: Base-Base interactions energy: 0.272 where: short stacking energy: 0.272 Base-Backbone interact. energy: -0.029 local terms energy: -18.397085 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: 1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -19.753021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.753021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.753021 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.760 local terms energy: -18.992752 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -18.083874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.083874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.083874 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -18.009339 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -2.730 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: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -22.297419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.297419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.297419 (E_RNA) where: Base-Base interactions energy: -6.102 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -16.151353 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -2.502 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: 2, replica: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -19.887195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.887195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.887195 (E_RNA) where: Base-Base interactions energy: 0.120 where: short stacking energy: 0.120 Base-Backbone interact. energy: -0.009 local terms energy: -19.997608 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: 0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -21.284987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.284987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.284987 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -21.204118 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -20.662116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.662116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.662116 (E_RNA) where: Base-Base interactions energy: -3.926 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.538 local terms energy: -16.198998 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.622 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: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -19.716189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.716189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.716189 (E_RNA) where: Base-Base interactions energy: 0.232 where: short stacking energy: 0.232 Base-Backbone interact. energy: -0.005 local terms energy: -19.943267 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -21.108233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.108233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.108233 (E_RNA) where: Base-Base interactions energy: -6.708 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -14.305322 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.726 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: 7, replica: 1 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -21.087245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.087245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.087245 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -21.018167 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -4.827 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: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -19.791157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.791157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.791157 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.791115 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -3.277 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -4.207 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: 9, replica: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -20.818696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.818696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.818696 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.805782 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -19.623910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.623910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.623910 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.496 local terms energy: -18.127653 where: bonds (distance) C4'-P energy: -4.601 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -3.157 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: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -22.522762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.522762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.522762 (E_RNA) where: Base-Base interactions energy: -5.752 where: short stacking energy: 0.327 Base-Backbone interact. energy: -0.023 local terms energy: -16.747840 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -1.368 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -21.170236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.170236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.170236 (E_RNA) where: Base-Base interactions energy: -5.189 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -15.905679 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.964 flat angles P-C4'-P energy: -4.560 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: 3, replica: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -21.552620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.552620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.552620 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.546788 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -20.351876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.351876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.351876 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.351677 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -22.298110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.298110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.298110 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.297363 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -21.357245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.357245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.357245 (E_RNA) where: Base-Base interactions energy: 0.436 where: short stacking energy: 0.436 Base-Backbone interact. energy: -0.000 local terms energy: -21.793110 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -20.537602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.537602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.537602 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.537595 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -2.671 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: 8, replica: 6 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -18.469097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.469097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.469097 (E_RNA) where: Base-Base interactions energy: -3.804 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.236 local terms energy: -14.900889 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: 0.004 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: 9, replica: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -20.008627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.008627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.008627 (E_RNA) where: Base-Base interactions energy: -0.569 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -19.384234 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -20.323756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.323756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.323756 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.233390 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -4.741 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: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -22.303490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.303490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.303490 (E_RNA) where: Base-Base interactions energy: -0.131 where: short stacking energy: 0.059 Base-Backbone interact. energy: -0.061 local terms energy: -22.111745 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -20.140518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.140518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.140518 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -20.038093 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -4.140 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: 3, replica: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -19.635959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.635959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.635959 (E_RNA) where: Base-Base interactions energy: -1.855 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -17.633164 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.162 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -20.375565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.375565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.375565 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -20.345706 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -20.950786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.950786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.950786 (E_RNA) where: Base-Base interactions energy: 0.050 where: short stacking energy: 0.050 Base-Backbone interact. energy: -0.000 local terms energy: -21.000837 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -23.073314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.073314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.073314 (E_RNA) where: Base-Base interactions energy: -4.755 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.218514 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: 0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -19.670405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.670405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.670405 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.199 local terms energy: -19.471057 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -2.509 tors. eta vs tors. theta energy: -0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -20.417742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.417742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.417742 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.402967 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.342 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: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -19.427757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.427757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.427757 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -19.527754 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -19.235477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.235477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.235477 (E_RNA) where: Base-Base interactions energy: -0.195 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.039159 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -2.760 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: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -21.811156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.811156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.811156 (E_RNA) where: Base-Base interactions energy: -0.282 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.090 local terms energy: -20.438829 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -21.822100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.822100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.822100 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.820634 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -25.611960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.611960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.611960 (E_RNA) where: Base-Base interactions energy: -7.902 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -17.613208 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -2.156 tors. eta vs tors. theta energy: -1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -20.020186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.020186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.020186 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.279 local terms energy: -19.741515 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -20.026486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.026486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.026486 (E_RNA) where: Base-Base interactions energy: -4.176 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -15.736499 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: 3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -19.491399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.491399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.491399 (E_RNA) where: Base-Base interactions energy: -1.838 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -17.610973 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: 1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -21.297913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.297913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.297913 (E_RNA) where: Base-Base interactions energy: -4.335 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -16.963202 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -0.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -20.490298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.490298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.490298 (E_RNA) where: Base-Base interactions energy: -0.377 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.113481 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.285 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: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -20.873964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.873964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.873964 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.873656 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.186 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -2.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -21.621833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.621833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.621833 (E_RNA) where: Base-Base interactions energy: 0.304 where: short stacking energy: 0.304 Base-Backbone interact. energy: -0.056 local terms energy: -21.869196 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -22.322166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.322166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.322166 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.322160 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -23.631927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.631927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.631927 (E_RNA) where: Base-Base interactions energy: -3.836 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -19.769585 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -21.545339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.545339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.545339 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.543974 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -20.551253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.551253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.551253 (E_RNA) where: Base-Base interactions energy: -3.422 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.129101 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: 0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -20.289500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.289500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.289500 (E_RNA) where: Base-Base interactions energy: 0.380 where: short stacking energy: 0.380 Base-Backbone interact. energy: -0.001 local terms energy: -20.667993 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -3.194 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: 6, replica: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -20.262410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.262410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.262410 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.262389 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.914 flat angles P-C4'-P energy: -3.792 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: 7, replica: 9 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -19.629754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.629754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.629754 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.627682 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -4.073 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: 8, replica: 8 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -22.040984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.040984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.040984 (E_RNA) where: Base-Base interactions energy: -1.609 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.420910 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -4.313 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: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -18.817485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.817485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.817485 (E_RNA) where: Base-Base interactions energy: -4.872 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -13.944528 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.672 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: 3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -19.430791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.430791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.430791 (E_RNA) where: Base-Base interactions energy: -1.747 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.163 local terms energy: -17.521492 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.445 flat angles P-C4'-P energy: -2.512 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: 1, replica: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -22.122246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.122246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.122246 (E_RNA) where: Base-Base interactions energy: -4.237 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.899 local terms energy: -15.986675 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -3.597 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: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -21.153139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.153139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.153139 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.153053 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -3.777 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: 3, replica: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -21.593103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.593103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.593103 (E_RNA) where: Base-Base interactions energy: -5.718 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -15.797231 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: -4.275 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: 4 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -21.076667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.076667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.076667 (E_RNA) where: Base-Base interactions energy: -5.309 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -15.713297 where: bonds (distance) C4'-P energy: -3.010 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -3.834 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: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -22.008976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.008976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.008976 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.008976 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -20.169054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.169054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.169054 (E_RNA) where: Base-Base interactions energy: -3.302 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -16.740580 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -1.850 tors. eta vs tors. theta energy: 0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -19.265555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.265555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.265555 (E_RNA) where: Base-Base interactions energy: -1.026 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.356 local terms energy: -17.883693 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.402 flat angles P-C4'-P energy: -4.438 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: 8, replica: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -20.330778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.330778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.330778 (E_RNA) where: Base-Base interactions energy: -3.362 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -16.814336 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -2.818 tors. eta vs tors. theta energy: 0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -19.450143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.450143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.450143 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -19.421648 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -19.045681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.045681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.045681 (E_RNA) where: Base-Base interactions energy: -1.749 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -17.152226 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -2.431 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: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -21.020503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.020503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.020503 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -20.990944 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -0.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -22.402212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.402212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.402212 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.476 local terms energy: -20.925936 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.557 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: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -20.748672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.748672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.748672 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.747568 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -1.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -21.894099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.894099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.894099 (E_RNA) where: Base-Base interactions energy: -4.745 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -17.034194 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -3.476 flat angles C4'-P-C4' energy: -3.687 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -21.989927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.989927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.989927 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.989901 where: bonds (distance) C4'-P energy: -3.333 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -21.962521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.962521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.962521 (E_RNA) where: Base-Base interactions energy: -0.978 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.638 local terms energy: -20.347244 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -0.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -19.801029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.801029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.801029 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.004 local terms energy: -20.097348 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -4.627 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: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -20.640353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.640353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.640353 (E_RNA) where: Base-Base interactions energy: -1.488 where: short stacking energy: 0.000 Base-Backbone interact. energy: 1.004 local terms energy: -20.157064 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -4.477 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: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -19.901134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.901134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.901134 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.888243 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -0.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -19.618296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.618296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.618296 (E_RNA) where: Base-Base interactions energy: -2.550 where: short stacking energy: 0.100 Base-Backbone interact. energy: 1.023 local terms energy: -18.091254 where: bonds (distance) C4'-P energy: -2.832 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.550 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -22.666061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.666061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.666061 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -22.611173 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.647 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: 2, replica: 4 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -22.844140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.844140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.844140 (E_RNA) where: Base-Base interactions energy: 0.442 where: short stacking energy: 0.442 Base-Backbone interact. energy: -0.000 local terms energy: -23.285483 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -4.767 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: 3, replica: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -22.090642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.090642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.090642 (E_RNA) where: Base-Base interactions energy: -4.125 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.292 local terms energy: -17.673795 where: bonds (distance) C4'-P energy: -3.690 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.778 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -21.917141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.917141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.917141 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.917127 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -1.348 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -22.169879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.169879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.169879 (E_RNA) where: Base-Base interactions energy: -5.517 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -16.539060 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -3.119 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: 6, replica: 10 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -20.917615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.917615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.917615 (E_RNA) where: Base-Base interactions energy: -7.903 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -12.976971 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -1.359 tors. eta vs tors. theta energy: 2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -20.812370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.812370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.812370 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.812368 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.122 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: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -19.751647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.751647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.751647 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.739216 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.267 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: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -20.514125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.514125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.514125 (E_RNA) where: Base-Base interactions energy: -3.614 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.215 local terms energy: -15.685327 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: 2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -18.136662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.136662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.136662 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.132913 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -2.749 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: 1, replica: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -22.581168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.581168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.581168 (E_RNA) where: Base-Base interactions energy: -5.377 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -17.039176 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: 1.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -25.841834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.841834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.841834 (E_RNA) where: Base-Base interactions energy: -8.448 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -17.307839 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: 1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -20.600473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.600473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.600473 (E_RNA) where: Base-Base interactions energy: 0.192 where: short stacking energy: 0.192 Base-Backbone interact. energy: -0.000 local terms energy: -20.791940 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.374 flat angles P-C4'-P energy: -4.022 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: 4, replica: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -21.621052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.621052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.621052 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.620871 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.476 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: 350 Temperature: 1.100000 Total energy: -20.095006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.095006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.095006 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.163 local terms energy: -19.931983 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -21.765231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.765231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.765231 (E_RNA) where: Base-Base interactions energy: -2.212 where: short stacking energy: 0.492 Base-Backbone interact. energy: -0.001 local terms energy: -19.552029 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -20.334155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.334155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.334155 (E_RNA) where: Base-Base interactions energy: -4.543 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -15.718021 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.255 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: 1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -21.799395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.799395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.799395 (E_RNA) where: Base-Base interactions energy: -3.228 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.185 local terms energy: -18.386839 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -20.293659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.293659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.293659 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.791 local terms energy: -19.502908 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -23.827339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.827339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.827339 (E_RNA) where: Base-Base interactions energy: -5.602 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.483 local terms energy: -18.709092 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -2.263 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: 351 Temperature: 0.900000 Total energy: -22.003081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.003081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.003081 (E_RNA) where: Base-Base interactions energy: -4.947 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -17.029218 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -2.593 tors. eta vs tors. theta energy: 0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -21.880391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.880391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.880391 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.879539 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -4.626 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: 3, replica: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -21.630629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.630629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.630629 (E_RNA) where: Base-Base interactions energy: -1.532 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -20.011174 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.029 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: 4, replica: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -21.204337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.204337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.204337 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -21.404336 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -20.979370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.979370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.979370 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.979302 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: 0.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -20.036491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.036491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.036491 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.115 local terms energy: -19.921774 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.802 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -1.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -19.743919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.743919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.743919 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.740364 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -4.293 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: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -21.283356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.283356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.283356 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.446 local terms energy: -21.729041 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -3.378 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: 9, replica: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -19.694578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.694578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.694578 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.692508 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: 0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -19.603594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.603594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.603594 (E_RNA) where: Base-Base interactions energy: -5.463 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.177 local terms energy: -13.962706 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -1.871 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: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -24.910381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.910381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.910381 (E_RNA) where: Base-Base interactions energy: -4.329 where: short stacking energy: 0.679 Base-Backbone interact. energy: -0.000 local terms energy: -20.581538 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.687 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: 2, replica: 4 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -26.918799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.918799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.918799 (E_RNA) where: Base-Base interactions energy: -6.178 where: short stacking energy: 0.002 Base-Backbone interact. energy: -0.362 local terms energy: -20.378002 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -21.485858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.485858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.485858 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.485643 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -22.217230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.217230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.217230 (E_RNA) where: Base-Base interactions energy: -3.273 where: short stacking energy: 0.800 Base-Backbone interact. energy: -0.001 local terms energy: -18.943005 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: 0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -20.175701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.175701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.175701 (E_RNA) where: Base-Base interactions energy: -5.690 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -14.387744 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -0.293 tors. eta vs tors. theta energy: 0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -20.966614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.966614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.966614 (E_RNA) where: Base-Base interactions energy: -2.298 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -18.652508 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: 0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -19.921509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.921509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.921509 (E_RNA) where: Base-Base interactions energy: -1.318 where: short stacking energy: 0.238 Base-Backbone interact. energy: -0.024 local terms energy: -18.580219 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -20.835789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.835789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.835789 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.522 local terms energy: -20.314045 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -3.695 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: 9, replica: 1 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -20.047163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.047163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.047163 (E_RNA) where: Base-Base interactions energy: -0.961 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -19.030391 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -19.988199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.988199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.988199 (E_RNA) where: Base-Base interactions energy: -4.263 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -15.648436 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -2.892 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.374 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: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -21.503146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.503146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.503146 (E_RNA) where: Base-Base interactions energy: -1.164 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.325018 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: 0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -22.226339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.226339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.226339 (E_RNA) where: Base-Base interactions energy: -2.483 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -19.660552 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: 0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -20.465848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.465848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.465848 (E_RNA) where: Base-Base interactions energy: -4.765 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.168 local terms energy: -15.533420 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: 0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -19.563477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.563477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.563477 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.464116 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.346 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -20.545233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.545233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.545233 (E_RNA) where: Base-Base interactions energy: -1.920 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -18.515413 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -21.760834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.760834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.760834 (E_RNA) where: Base-Base interactions energy: -0.985 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.773934 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -2.105 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: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -19.056829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.056829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.056829 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.055503 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -21.071107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.071107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.071107 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.066299 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -3.553 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: 9, replica: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -21.098259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.098259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.098259 (E_RNA) where: Base-Base interactions energy: -2.136 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.962164 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -2.134 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -18.063688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.063688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.063688 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -18.036741 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.441 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: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -22.109314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.109314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.109314 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -22.091848 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -2.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -21.093009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.093009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.093009 (E_RNA) where: Base-Base interactions energy: 0.355 where: short stacking energy: 0.355 Base-Backbone interact. energy: -0.100 local terms energy: -21.348184 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -20.725506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.725506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.725506 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -20.707704 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -0.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -20.887759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.887759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.887759 (E_RNA) where: Base-Base interactions energy: -5.327 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -15.501566 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -2.486 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: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -20.982379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.982379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.982379 (E_RNA) where: Base-Base interactions energy: -2.488 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -18.368680 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.998 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: 6, replica: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -20.622404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.622404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.622404 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.622403 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.918 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: 7, replica: 1 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -19.576152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.576152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.576152 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.572139 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -20.579644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.579644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.579644 (E_RNA) where: Base-Base interactions energy: -1.520 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.047 local terms energy: -19.013010 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -1.393 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: 9, replica: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -19.746077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.746077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.746077 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -19.654890 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -2.940 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: 10, replica: 2 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -19.110088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.110088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.110088 (E_RNA) where: Base-Base interactions energy: -0.463 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -18.586883 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -4.426 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: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -21.587817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.587817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.587817 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.587694 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -20.687446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.687446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.687446 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.687400 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -21.442495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.442495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.442495 (E_RNA) where: Base-Base interactions energy: -2.308 where: short stacking energy: 0.564 Base-Backbone interact. energy: -0.174 local terms energy: -18.960384 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -2.807 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: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -21.959923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.959923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.959923 (E_RNA) where: Base-Base interactions energy: 0.388 where: short stacking energy: 0.388 Base-Backbone interact. energy: -0.003 local terms energy: -22.344859 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -21.548295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.548295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.548295 (E_RNA) where: Base-Base interactions energy: -1.574 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.455 local terms energy: -19.519566 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -20.513715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.513715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.513715 (E_RNA) where: Base-Base interactions energy: -1.289 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.214497 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -19.947952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.947952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.947952 (E_RNA) where: Base-Base interactions energy: -3.173 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.147 local terms energy: -16.628497 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: 1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -20.349382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.349382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.349382 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.348783 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -19.433784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.433784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.433784 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.432417 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -19.326881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.326881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.326881 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -19.230531 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -3.929 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -2.806 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: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -21.011165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.011165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.011165 (E_RNA) where: Base-Base interactions energy: -4.692 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -16.221937 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: 2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -22.294007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.294007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.294007 (E_RNA) where: Base-Base interactions energy: -1.524 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -20.737568 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: 0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -21.255511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.255511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.255511 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.005 local terms energy: -21.650815 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -20.697794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.697794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.697794 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.697674 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -20.953577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.953577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.953577 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -20.907335 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -3.966 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: 6, replica: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -19.761144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.761144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.761144 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.761121 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.564 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: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -18.896405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.896405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.896405 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -18.867181 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -0.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -20.790551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.790551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.790551 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.790510 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -3.078 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: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -18.536332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.536332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.536332 (E_RNA) where: Base-Base interactions energy: -5.441 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.449 local terms energy: -13.544636 where: bonds (distance) C4'-P energy: -2.621 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: 2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -19.964089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.964089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.964089 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -19.833077 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -4.389 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: 357 Temperature: 0.900000 Total energy: -21.430124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.430124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.430124 (E_RNA) where: Base-Base interactions energy: -2.289 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -19.046060 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.841 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: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -21.149076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.149076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.149076 (E_RNA) where: Base-Base interactions energy: -1.300 where: short stacking energy: 0.123 Base-Backbone interact. energy: -0.002 local terms energy: -19.847459 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -3.191 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: 3, replica: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -23.805666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.805666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.805666 (E_RNA) where: Base-Base interactions energy: -4.234 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.088 local terms energy: -19.483998 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -3.832 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: 4, replica: 1 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -21.297671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.297671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.297671 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.087 local terms energy: -21.385101 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -1.686 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: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -21.696735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.696735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.696735 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.696734 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -2.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -20.347363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.347363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.347363 (E_RNA) where: Base-Base interactions energy: -0.931 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.524 local terms energy: -18.891900 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -19.867013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.867013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.867013 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.866909 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -2.934 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: 8, replica: 2 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -18.474457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.474457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.474457 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -18.436192 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.048 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -20.090247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.090247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.090247 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.088234 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.455 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: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -18.568466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.568466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.568466 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -18.536215 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -2.502 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: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -22.512982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.512982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.512982 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -22.438222 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -3.594 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: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -23.644664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.644664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.644664 (E_RNA) where: Base-Base interactions energy: -1.934 where: short stacking energy: 0.216 Base-Backbone interact. energy: -0.021 local terms energy: -21.690113 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -4.115 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: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -21.355852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.355852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.355852 (E_RNA) where: Base-Base interactions energy: 0.625 where: short stacking energy: 0.625 Base-Backbone interact. energy: -0.000 local terms energy: -21.981108 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.798 tors. eta vs tors. theta energy: -3.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -20.011664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.011664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.011664 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -19.961590 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -4.107 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: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -20.176843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.176843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.176843 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.172417 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -0.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -21.068949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.068949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.068949 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.068880 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -4.171 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: 2 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -20.653556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.653556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.653556 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.642439 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -19.189080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.189080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.189080 (E_RNA) where: Base-Base interactions energy: 0.069 where: short stacking energy: 0.069 Base-Backbone interact. energy: -0.000 local terms energy: -19.257534 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.246 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: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -19.655112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.655112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.655112 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.655084 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -19.632305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.632305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.632305 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.631844 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -22.058915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.058915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.058915 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -21.991530 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -4.406 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: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -22.482812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.482812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.482812 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.482607 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -21.355330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.355330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.355330 (E_RNA) where: Base-Base interactions energy: -5.313 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -15.953492 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -2.755 tors. eta vs tors. theta energy: 1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -20.309041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.309041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.309041 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.068 local terms energy: -20.241249 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.428 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -22.034038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.034038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.034038 (E_RNA) where: Base-Base interactions energy: -0.715 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -21.318822 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -3.104 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: 6, replica: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -21.069928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.069928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.069928 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -21.005976 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -4.132 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: 7, replica: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -21.399883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.399883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.399883 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.399876 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -2.980 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: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -18.857409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.857409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.857409 (E_RNA) where: Base-Base interactions energy: 0.222 where: short stacking energy: 0.222 Base-Backbone interact. energy: -0.002 local terms energy: -19.077438 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -19.046856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.046856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.046856 (E_RNA) where: Base-Base interactions energy: 0.134 where: short stacking energy: 0.134 Base-Backbone interact. energy: -0.000 local terms energy: -19.180305 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -2.976 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -22.267767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.267767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.267767 (E_RNA) where: Base-Base interactions energy: -5.943 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -16.198919 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -4.330 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: 1, replica: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -24.244312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.244312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.244312 (E_RNA) where: Base-Base interactions energy: -4.982 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -19.179936 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: 0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -22.278984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.278984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.278984 (E_RNA) where: Base-Base interactions energy: 0.634 where: short stacking energy: 0.634 Base-Backbone interact. energy: -0.000 local terms energy: -22.912923 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.869 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: 3, replica: 6 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -21.203005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.203005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.203005 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -21.099712 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -4.458 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: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -20.850344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.850344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.850344 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.751632 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -4.542 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: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -20.855259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.855259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.855259 (E_RNA) where: Base-Base interactions energy: 0.152 where: short stacking energy: 0.152 Base-Backbone interact. energy: -0.000 local terms energy: -21.007229 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -19.449485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.449485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.449485 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.715 local terms energy: -18.734416 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.177 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: 7, replica: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -22.459669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.459669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.459669 (E_RNA) where: Base-Base interactions energy: -3.550 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.897088 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -3.344 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: 8, replica: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -18.871839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.871839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.871839 (E_RNA) where: Base-Base interactions energy: -0.648 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -18.120736 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -4.018 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: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -19.262901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.262901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.262901 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.187 local terms energy: -19.076315 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -18.091360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.091360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.091360 (E_RNA) where: Base-Base interactions energy: 2.300 where: short stacking energy: 2.300 Base-Backbone interact. energy: 0.058 local terms energy: -20.449605 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -3.922 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: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -21.119768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.119768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.119768 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.569 local terms energy: -20.550691 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -4.597 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: 2, replica: 6 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -23.348327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.348327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.348327 (E_RNA) where: Base-Base interactions energy: -3.244 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.029 local terms energy: -20.075646 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -2.420 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: 3, replica: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -22.182007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.182007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.182007 (E_RNA) where: Base-Base interactions energy: -4.280 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -17.818246 where: bonds (distance) C4'-P energy: -3.503 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: 1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -19.923854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.923854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.923854 (E_RNA) where: Base-Base interactions energy: -1.528 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.109 local terms energy: -18.286868 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -3.161 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: 5, replica: 3 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -21.617949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.617949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.617949 (E_RNA) where: Base-Base interactions energy: -0.279 where: short stacking energy: 2.200 Base-Backbone interact. energy: -0.058 local terms energy: -21.281287 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -19.803984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.803984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.803984 (E_RNA) where: Base-Base interactions energy: -2.493 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -17.287445 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.477 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -19.565668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.565668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.565668 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.565626 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -22.881238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.881238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.881238 (E_RNA) where: Base-Base interactions energy: -1.869 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.010897 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -20.310634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.310634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.310634 (E_RNA) where: Base-Base interactions energy: -0.914 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.395801 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -20.703281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.703281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.703281 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -20.554467 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -3.119 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: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -21.042953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.042953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.042953 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.042929 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.772 flat angles P-C4'-P energy: -3.903 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: 2, replica: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -21.054410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.054410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.054410 (E_RNA) where: Base-Base interactions energy: -1.311 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.140 local terms energy: -19.604084 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -3.947 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: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -22.247215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.247215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.247215 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.247172 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -3.503 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: 4, replica: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -21.363514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.363514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.363514 (E_RNA) where: Base-Base interactions energy: -5.349 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.234 local terms energy: -15.780406 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -3.746 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: 5, replica: 7 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -21.572832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.572832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.572832 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -21.493504 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -1.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -20.678298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.678298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.678298 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -20.598377 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -4.731 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: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -20.908240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.908240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.908240 (E_RNA) where: Base-Base interactions energy: -0.946 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.862383 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -3.788 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: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -19.673485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.673485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.673485 (E_RNA) where: Base-Base interactions energy: 0.277 where: short stacking energy: 0.277 Base-Backbone interact. energy: -0.029 local terms energy: -19.921566 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -3.831 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: 9, replica: 4 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -19.394470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.394470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.394470 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.323 local terms energy: -19.071547 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -21.822350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.822350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.822350 (E_RNA) where: Base-Base interactions energy: -5.416 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -16.357299 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: 2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -22.946624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.946624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.946624 (E_RNA) where: Base-Base interactions energy: -1.598 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.057 local terms energy: -21.291583 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -3.683 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: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -23.990217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.990217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.990217 (E_RNA) where: Base-Base interactions energy: -5.375 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -18.551426 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: 0.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -20.987760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.987760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.987760 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.986899 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.310 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -22.930181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.930181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.930181 (E_RNA) where: Base-Base interactions energy: -5.372 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.158 local terms energy: -17.400498 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.778 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -20.818757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.818757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.818757 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.818612 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -2.327 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -20.371055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.371055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.371055 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -20.288945 where: bonds (distance) C4'-P energy: -3.805 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -20.201386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.201386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.201386 (E_RNA) where: Base-Base interactions energy: -1.975 where: short stacking energy: 0.227 Base-Backbone interact. energy: -0.075 local terms energy: -18.151378 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: 1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -21.483506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.483506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.483506 (E_RNA) where: Base-Base interactions energy: 0.661 where: short stacking energy: 0.661 Base-Backbone interact. energy: -0.000 local terms energy: -22.144259 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -3.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -18.873746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.873746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.873746 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -18.772705 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -2.133 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -20.104681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.104681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.104681 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.087 local terms energy: -19.017326 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -21.385459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.385459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.385459 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -21.375259 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -22.872558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.872558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.872558 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.872455 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -20.057802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.057802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.057802 (E_RNA) where: Base-Base interactions energy: -1.776 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -18.216930 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.555 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: 4, replica: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -21.625209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.625209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.625209 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -21.605284 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -20.538746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.538746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.538746 (E_RNA) where: Base-Base interactions energy: -1.464 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.072750 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -1.546 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -22.504168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.504168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.504168 (E_RNA) where: Base-Base interactions energy: -2.810 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.178 local terms energy: -19.516560 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: 1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -20.929309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.929309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.929309 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.926790 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -3.811 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: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -19.521289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.521289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.521289 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.521286 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -19.910594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.910594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.910594 (E_RNA) where: Base-Base interactions energy: -2.093 where: short stacking energy: 0.022 Base-Backbone interact. energy: -0.194 local terms energy: -17.622857 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -3.435 flat angles P-C4'-P energy: -2.544 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -18.615803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.615803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.615803 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -18.591973 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -4.010 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: 1, replica: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -22.182752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.182752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.182752 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -22.153549 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -1.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -20.461352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.461352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.461352 (E_RNA) where: Base-Base interactions energy: 0.008 where: short stacking energy: 0.008 Base-Backbone interact. energy: -0.036 local terms energy: -20.433193 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: 0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -20.124018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.124018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.124018 (E_RNA) where: Base-Base interactions energy: -0.512 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.914 local terms energy: -17.697946 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: 0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -21.084734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.084734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.084734 (E_RNA) where: Base-Base interactions energy: -5.696 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.242 local terms energy: -15.146705 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -3.876 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: 5, replica: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -20.379811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.379811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.379811 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.369967 where: bonds (distance) C4'-P energy: -5.291 bonds (distance) P-C4' energy: -4.715 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -20.607997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.607997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.607997 (E_RNA) where: Base-Base interactions energy: -3.839 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -16.680862 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -1.173 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: 7, replica: 2 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -21.021551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.021551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.021551 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -20.918552 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -3.344 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: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -18.791240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.791240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.791240 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.399 local terms energy: -18.392332 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: 0.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -19.877661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.877661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.877661 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.202 local terms energy: -19.676149 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -2.454 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: 10, replica: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -17.989730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.989730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.989730 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -17.983514 where: bonds (distance) C4'-P energy: -4.306 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -3.653 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: 1, replica: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -24.854759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.854759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.854759 (E_RNA) where: Base-Base interactions energy: -2.233 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -22.569222 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.097 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: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -22.511228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.511228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.511228 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -22.399100 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -21.024082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.024082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.024082 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -21.010346 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -4.875 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: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -21.114627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.114627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.114627 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -21.108954 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -22.295939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.295939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.295939 (E_RNA) where: Base-Base interactions energy: 0.134 where: short stacking energy: 0.134 Base-Backbone interact. energy: -0.001 local terms energy: -22.428683 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -4.159 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: 10 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -21.833467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.833467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.833467 (E_RNA) where: Base-Base interactions energy: -2.329 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.001 local terms energy: -19.503501 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.216 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -19.540561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.540561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.540561 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.540492 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -2.779 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: 8, replica: 2 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -18.323224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.323224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.323224 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -18.240374 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -1.865 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: 1 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -18.933252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.933252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.933252 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.884 local terms energy: -18.048880 where: bonds (distance) C4'-P energy: -3.259 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -2.097 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -21.101189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.101189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.101189 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.101186 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -21.986027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.986027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.986027 (E_RNA) where: Base-Base interactions energy: -2.796 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.296 local terms energy: -18.893560 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -21.352350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.352350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.352350 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.352202 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -1.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -21.217750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.217750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.217750 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.217748 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -4.529 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -2.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -21.966721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.966721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.966721 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.966717 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -3.410 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: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -20.476005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.476005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.476005 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.473486 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -2.231 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: 6, replica: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -18.960860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.960860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.960860 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.237 local terms energy: -18.724306 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: -0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -19.111592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.111592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.111592 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.193 local terms energy: -18.919002 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -4.561 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: 8, replica: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -18.121996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.121996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.121996 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.730 local terms energy: -18.851836 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: 0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -18.963380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.963380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.963380 (E_RNA) where: Base-Base interactions energy: -2.122 where: short stacking energy: 0.355 Base-Backbone interact. energy: -0.029 local terms energy: -16.812764 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -1.651 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: 0.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -18.169002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.169002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.169002 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -18.120038 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.772 flat angles P-C4'-P energy: -4.801 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: 1, replica: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -22.728303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.728303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.728303 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.727822 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -20.319593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319593 (E_RNA) where: Base-Base interactions energy: -4.947 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.116 local terms energy: -15.256797 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -1.436 tors. eta vs tors. theta energy: 0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -26.603634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.603634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.603634 (E_RNA) where: Base-Base interactions energy: -4.528 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -22.067161 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: -3.394 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: 4, replica: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -21.071084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.071084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.071084 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.070694 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.753 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: 5, replica: 9 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -21.459606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.459606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.459606 (E_RNA) where: Base-Base interactions energy: -4.191 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -17.237001 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -2.806 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: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -20.165307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.165307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.165307 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.163876 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: 0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -18.682782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.682782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.682782 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.680465 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.083 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -20.628234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.628234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.628234 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.628228 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -19.449448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.449448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.449448 (E_RNA) where: Base-Base interactions energy: 0.688 where: short stacking energy: 0.688 Base-Backbone interact. energy: -0.004 local terms energy: -20.133360 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -3.507 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -19.354824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.354824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.354824 (E_RNA) where: Base-Base interactions energy: -6.032 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.389 local terms energy: -13.711425 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -4.040 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: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -20.994000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.994000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.994000 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.978040 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -3.608 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: 2, replica: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -21.464906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.464906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.464906 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -21.376471 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -4.190 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: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -20.555355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.555355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.555355 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.551497 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -4.418 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: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -20.508678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.508678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.508678 (E_RNA) where: Base-Base interactions energy: 0.163 where: short stacking energy: 0.163 Base-Backbone interact. energy: -0.000 local terms energy: -20.672119 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -3.475 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: 5, replica: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -20.820899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.820899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.820899 (E_RNA) where: Base-Base interactions energy: -1.525 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.021 local terms energy: -18.275257 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.912 tors. eta vs tors. theta energy: 0.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -18.985542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.985542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.985542 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -18.894301 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -4.094 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: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -20.858126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.858126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.858126 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.845271 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -20.748416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.748416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.748416 (E_RNA) where: Base-Base interactions energy: 0.030 where: short stacking energy: 0.030 Base-Backbone interact. energy: -0.002 local terms energy: -20.777316 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -2.104 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: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -19.226274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.226274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.226274 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.225304 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.978 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -19.561418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.561418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.561418 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.165 local terms energy: -19.396859 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: 0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -22.994434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.994434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.994434 (E_RNA) where: Base-Base interactions energy: -6.440 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -16.544704 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -3.655 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: 2, replica: 7 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -21.313883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.313883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.313883 (E_RNA) where: Base-Base interactions energy: -2.602 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.706749 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.588 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: 3, replica: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -22.755421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.755421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.755421 (E_RNA) where: Base-Base interactions energy: -4.226 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -18.421418 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -2.746 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: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -20.728006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.728006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.728006 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -20.709407 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -20.071704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.071704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.071704 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.251 local terms energy: -19.820607 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -20.626756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.626756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.626756 (E_RNA) where: Base-Base interactions energy: 0.600 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.000 local terms energy: -21.226750 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -19.442696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.442696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.442696 (E_RNA) where: Base-Base interactions energy: -4.116 where: short stacking energy: 0.511 Base-Backbone interact. energy: -0.070 local terms energy: -15.256843 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -3.422 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: 8, replica: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -20.625478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.625478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.625478 (E_RNA) where: Base-Base interactions energy: -2.616 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -17.876173 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: 0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -21.883379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.883379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.883379 (E_RNA) where: Base-Base interactions energy: -5.102 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.141 local terms energy: -16.639876 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: 1.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -20.907607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.907607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.907607 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.564 local terms energy: -21.471900 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -22.279235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.279235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.279235 (E_RNA) where: Base-Base interactions energy: 0.115 where: short stacking energy: 0.115 Base-Backbone interact. energy: -0.027 local terms energy: -22.367308 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -4.187 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: 2, replica: 9 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -22.917485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.917485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.917485 (E_RNA) where: Base-Base interactions energy: -4.811 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -18.004728 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.120 flat angles P-C4'-P energy: -3.877 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: 3, replica: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -23.819524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.819524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.819524 (E_RNA) where: Base-Base interactions energy: -2.725 where: short stacking energy: 0.056 Base-Backbone interact. energy: -0.004 local terms energy: -21.089791 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.863 flat angles P-C4'-P energy: -3.650 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: 4, replica: 10 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -20.006283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.006283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.006283 (E_RNA) where: Base-Base interactions energy: 0.066 where: short stacking energy: 0.066 Base-Backbone interact. energy: -0.092 local terms energy: -19.980451 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.910 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: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -22.271563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.271563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.271563 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: 0.017 local terms energy: -22.488863 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -4.190 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: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -20.485627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.485627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.485627 (E_RNA) where: Base-Base interactions energy: -2.645 where: short stacking energy: 0.025 Base-Backbone interact. energy: -0.100 local terms energy: -17.740222 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -21.547325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.547325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.547325 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.543645 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -4.486 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: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -21.744324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.744324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.744324 (E_RNA) where: Base-Base interactions energy: -0.971 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.060 local terms energy: -19.712928 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: 0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -19.794298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.794298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.794298 (E_RNA) where: Base-Base interactions energy: -5.957 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -13.716342 where: bonds (distance) C4'-P energy: -3.475 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -3.028 tors. eta vs tors. theta energy: 1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -18.562824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.562824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.562824 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.448 local terms energy: -18.114979 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.180 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: 0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -22.298959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.298959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.298959 (E_RNA) where: Base-Base interactions energy: -4.782 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -17.414751 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -2.191 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: 2, replica: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -20.954700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.954700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.954700 (E_RNA) where: Base-Base interactions energy: -4.931 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -16.010393 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: 2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -24.915424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.915424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.915424 (E_RNA) where: Base-Base interactions energy: -8.591 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -16.233737 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: 1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -21.007245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.007245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.007245 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.006730 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -2.266 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: 5, replica: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -20.516838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.516838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.516838 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -20.482317 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -4.262 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: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -19.956898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.956898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.956898 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.956897 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -4.293 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: 7, replica: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -22.885783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.885783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.885783 (E_RNA) where: Base-Base interactions energy: 0.211 where: short stacking energy: 0.211 Base-Backbone interact. energy: -0.084 local terms energy: -23.012625 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -20.222986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.222986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.222986 (E_RNA) where: Base-Base interactions energy: 1.000 where: short stacking energy: 1.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.221329 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.095 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: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -20.091333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.091333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.091333 (E_RNA) where: Base-Base interactions energy: -3.033 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.622 local terms energy: -17.679996 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.555 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: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -19.162831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.162831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.162831 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.160145 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -23.843019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.843019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.843019 (E_RNA) where: Base-Base interactions energy: -1.647 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.053 local terms energy: -21.143711 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -24.977979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.977979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.977979 (E_RNA) where: Base-Base interactions energy: -5.914 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.195 local terms energy: -18.868496 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: 2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -21.707987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.707987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.707987 (E_RNA) where: Base-Base interactions energy: 0.077 where: short stacking energy: 0.077 Base-Backbone interact. energy: -0.065 local terms energy: -21.719869 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -1.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -22.551944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.551944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.551944 (E_RNA) where: Base-Base interactions energy: -3.789 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.360 local terms energy: -18.402807 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.617 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: 5, replica: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -20.348076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.348076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.348076 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.341992 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -19.400973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.400973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.400973 (E_RNA) where: Base-Base interactions energy: -1.980 where: short stacking energy: 0.272 Base-Backbone interact. energy: -0.039 local terms energy: -17.381878 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -2.891 tors. eta vs tors. theta energy: 0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -20.418359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.418359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.418359 (E_RNA) where: Base-Base interactions energy: -2.314 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.102922 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.274 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -3.754 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: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -19.277130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.277130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.277130 (E_RNA) where: Base-Base interactions energy: -2.284 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.267 local terms energy: -17.260042 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -2.388 tors. eta vs tors. theta energy: 0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -20.168704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.168704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.168704 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.164 local terms energy: -20.004353 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.772 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -20.013842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.013842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.013842 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -19.915933 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -2.998 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: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -23.533890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.533890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.533890 (E_RNA) where: Base-Base interactions energy: -3.788 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.740289 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: 0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -23.895052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.895052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.895052 (E_RNA) where: Base-Base interactions energy: -3.431 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -20.440054 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -4.068 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: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -21.853602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.853602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.853602 (E_RNA) where: Base-Base interactions energy: -0.814 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.039198 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -2.904 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: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -20.893727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.893727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.893727 (E_RNA) where: Base-Base interactions energy: -1.095 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.023 local terms energy: -19.775145 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -4.008 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: 5, replica: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -20.435745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.435745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.435745 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.597 local terms energy: -19.838425 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: 0.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -21.232835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.232835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.232835 (E_RNA) where: Base-Base interactions energy: -5.698 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.141 local terms energy: -15.393818 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -2.345 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: 7, replica: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -19.749358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.749358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.749358 (E_RNA) where: Base-Base interactions energy: 0.072 where: short stacking energy: 0.072 Base-Backbone interact. energy: -0.000 local terms energy: -19.821012 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -3.549 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -19.584378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.584378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.584378 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -19.544273 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -19.490848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.490848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.490848 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.481579 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -19.775883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.775883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.775883 (E_RNA) where: Base-Base interactions energy: -2.154 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.363 local terms energy: -17.985140 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -0.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -23.492099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.492099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.492099 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -23.437834 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -21.240374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.240374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.240374 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.240242 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: -3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -20.094489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.094489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.094489 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -20.012307 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: 0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -21.522542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.522542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.522542 (E_RNA) where: Base-Base interactions energy: -3.533 where: short stacking energy: 0.166 Base-Backbone interact. energy: -0.005 local terms energy: -17.984367 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.275 flat angles P-C4'-P energy: -3.387 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: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -21.363392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.363392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.363392 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.359949 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -20.856051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.856051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.856051 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.852767 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -3.571 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: 7 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -22.201458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.201458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.201458 (E_RNA) where: Base-Base interactions energy: -5.826 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.206 local terms energy: -16.169502 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -2.446 tors. eta vs tors. theta energy: 0.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -21.422796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.422796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.422796 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.015 local terms energy: -21.507432 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -19.437664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.437664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.437664 (E_RNA) where: Base-Base interactions energy: 0.115 where: short stacking energy: 0.405 Base-Backbone interact. energy: -0.075 local terms energy: -19.477622 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -0.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -18.410820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.410820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.410820 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.353 local terms energy: -18.058267 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -0.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -22.612205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.612205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.612205 (E_RNA) where: Base-Base interactions energy: -2.136 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.005 local terms energy: -20.471003 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -20.430267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.430267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.430267 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -20.333766 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -3.146 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: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -21.884307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.884307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.884307 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.884110 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -3.871 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: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -21.049816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.049816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.049816 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.049167 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -20.165692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.165692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.165692 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -20.051207 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -20.651463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.651463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.651463 (E_RNA) where: Base-Base interactions energy: -0.498 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.153746 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.578 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: 7, replica: 3 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -19.621360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.621360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.621360 (E_RNA) where: Base-Base interactions energy: 0.503 where: short stacking energy: 0.503 Base-Backbone interact. energy: -0.023 local terms energy: -20.101467 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -2.685 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: 8, replica: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -19.492327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.492327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.492327 (E_RNA) where: Base-Base interactions energy: -4.005 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -15.435119 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -1.302 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -19.626341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.626341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.626341 (E_RNA) where: Base-Base interactions energy: -1.887 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -17.736000 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -21.102533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.102533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.102533 (E_RNA) where: Base-Base interactions energy: 0.360 where: short stacking energy: 0.360 Base-Backbone interact. energy: -0.000 local terms energy: -21.462572 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -21.729971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.729971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.729971 (E_RNA) where: Base-Base interactions energy: -0.319 where: short stacking energy: 0.438 Base-Backbone interact. energy: -0.003 local terms energy: -21.407638 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.433 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: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -22.291877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.291877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.291877 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -22.231981 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -20.752259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.752259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.752259 (E_RNA) where: Base-Base interactions energy: 0.632 where: short stacking energy: 0.632 Base-Backbone interact. energy: -0.269 local terms energy: -21.115441 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -21.129582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.129582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.129582 (E_RNA) where: Base-Base interactions energy: -5.610 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.076 local terms energy: -15.442927 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: 2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -20.453720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.453720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.453720 (E_RNA) where: Base-Base interactions energy: -6.331 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -14.034919 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.211 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: 1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -19.971002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.971002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.971002 (E_RNA) where: Base-Base interactions energy: -5.050 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -14.837743 where: bonds (distance) C4'-P energy: -3.475 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -3.195 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: 7, replica: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -20.281564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.281564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.281564 (E_RNA) where: Base-Base interactions energy: -5.247 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.883 local terms energy: -14.152172 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -2.183 tors. eta vs tors. theta energy: 1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -20.770077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.770077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.770077 (E_RNA) where: Base-Base interactions energy: -4.224 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -16.482104 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -2.378 tors. eta vs tors. theta energy: 2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -19.863618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.863618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.863618 (E_RNA) where: Base-Base interactions energy: -3.198 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.033 local terms energy: -16.632261 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.043 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: 0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -20.017190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.017190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.017190 (E_RNA) where: Base-Base interactions energy: -2.409 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -17.594772 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -0.950 flat angles P-C4'-P energy: -2.793 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: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -23.148875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.148875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.148875 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -23.039862 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.145 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: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -23.143526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.143526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.143526 (E_RNA) where: Base-Base interactions energy: -5.247 where: short stacking energy: 0.156 Base-Backbone interact. energy: -0.031 local terms energy: -17.865979 where: bonds (distance) C4'-P energy: -3.917 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: 0.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -23.629221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.629221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.629221 (E_RNA) where: Base-Base interactions energy: -5.038 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -18.572813 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -4.130 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: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -21.712342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.712342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.712342 (E_RNA) where: Base-Base interactions energy: -2.342 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -19.346227 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.400 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -21.005068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.005068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.005068 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.077 local terms energy: -21.427728 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -3.656 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: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -21.271514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.271514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.271514 (E_RNA) where: Base-Base interactions energy: 0.374 where: short stacking energy: 0.374 Base-Backbone interact. energy: -0.000 local terms energy: -21.645927 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -4.299 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: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -19.459865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.459865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.459865 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.459424 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -4.017 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: 8, replica: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -19.214008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.214008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.214008 (E_RNA) where: Base-Base interactions energy: 0.459 where: short stacking energy: 0.459 Base-Backbone interact. energy: -0.000 local terms energy: -19.672849 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -3.744 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: 378 Temperature: 1.300000 Total energy: -23.261619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.261619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.261619 (E_RNA) where: Base-Base interactions energy: -5.723 where: short stacking energy: 0.110 Base-Backbone interact. energy: -0.039 local terms energy: -17.499693 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.772 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: 0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -18.647614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.647614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.647614 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.647612 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.532 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: 0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -22.415620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.415620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.415620 (E_RNA) where: Base-Base interactions energy: -5.289 where: short stacking energy: 0.043 Base-Backbone interact. energy: -0.039 local terms energy: -17.087835 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: -0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -23.571403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.571403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.571403 (E_RNA) where: Base-Base interactions energy: -5.986 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.352 local terms energy: -17.232534 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -4.110 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: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -21.197079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.197079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.197079 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.197048 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.690 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.380 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: 4, replica: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -21.547419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.547419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.547419 (E_RNA) where: Base-Base interactions energy: 0.055 where: short stacking energy: 0.055 Base-Backbone interact. energy: -0.040 local terms energy: -21.562819 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -21.078613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.078613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.078613 (E_RNA) where: Base-Base interactions energy: -4.210 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.896 local terms energy: -17.764496 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -3.325 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: 8 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -19.826841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.826841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.826841 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.813407 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -4.420 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: 3 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -20.703266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.703266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.703266 (E_RNA) where: Base-Base interactions energy: -4.579 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -16.013824 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -1.054 tors. eta vs tors. theta energy: 0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -19.951194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.951194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.951194 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.950987 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -2.992 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: 9, replica: 4 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -20.072100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.072100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.072100 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.072070 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -1.253 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -18.815879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.815879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.815879 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.812774 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -2.332 tors. eta vs tors. theta energy: 0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -20.554606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.554606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.554606 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.564387 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -22.415723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.415723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.415723 (E_RNA) where: Base-Base interactions energy: -0.831 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.424 local terms energy: -22.008189 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -2.790 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: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -21.484199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.484199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.484199 (E_RNA) where: Base-Base interactions energy: -5.065 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.394 local terms energy: -16.025371 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.178 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.995 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: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -20.382766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.382766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.382766 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.382544 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -3.308 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: 8 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -21.353462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.353462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.353462 (E_RNA) where: Base-Base interactions energy: -4.767 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.036 local terms energy: -15.551028 where: bonds (distance) C4'-P energy: -3.242 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -1.743 tors. eta vs tors. theta energy: 0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -20.466231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.466231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.466231 (E_RNA) where: Base-Base interactions energy: -4.542 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -15.900338 where: bonds (distance) C4'-P energy: -4.013 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: 1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -20.665611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.665611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.665611 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.714 local terms energy: -18.951799 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -3.212 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: 3 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -19.006416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.006416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.006416 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.006392 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.645 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: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -20.237678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.237678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.237678 (E_RNA) where: Base-Base interactions energy: 0.963 where: short stacking energy: 0.963 Base-Backbone interact. energy: -0.037 local terms energy: -21.163614 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -4.274 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: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -18.387374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.387374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.387374 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -18.371246 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -22.806018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.806018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.806018 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.806014 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.451 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: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -22.903930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.903930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.903930 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -22.804687 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -4.080 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: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -20.353980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.353980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.353980 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -20.303698 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -19.818439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.818439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.818439 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.818433 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.057 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: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -19.972480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.972480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.972480 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.972391 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -19.973959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.973959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.973959 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -19.942586 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -3.785 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: 7, replica: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -18.987680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.987680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.987680 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.063 local terms energy: -19.424429 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: 0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -19.413266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.413266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.413266 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -19.346670 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -21.381077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.381077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.381077 (E_RNA) where: Base-Base interactions energy: -4.538 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -16.698030 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.102 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: 10, replica: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -17.892692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.892692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.892692 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.129 local terms energy: -17.763894 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -3.294 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: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -22.397200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.397200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.397200 (E_RNA) where: Base-Base interactions energy: -4.697 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.046 local terms energy: -17.654649 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -4.397 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: 2, replica: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -23.488796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.488796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.488796 (E_RNA) where: Base-Base interactions energy: -1.836 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.651659 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -20.115928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.115928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.115928 (E_RNA) where: Base-Base interactions energy: 0.005 where: short stacking energy: 0.005 Base-Backbone interact. energy: -0.054 local terms energy: -20.066678 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -0.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -20.946900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.946900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.946900 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -20.849337 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.658 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: 5, replica: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -21.372612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.372612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.372612 (E_RNA) where: Base-Base interactions energy: -5.457 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -15.824981 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -2.748 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: 6, replica: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -20.924890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.924890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.924890 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -20.890703 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -4.398 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: 7, replica: 7 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -19.478397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.478397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.478397 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -19.456696 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: 0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -20.388779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.388779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.388779 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.382851 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: 0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -20.052869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.052869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.052869 (E_RNA) where: Base-Base interactions energy: -3.460 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -16.587493 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -2.526 flat angles P-C4'-P energy: -3.328 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: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -20.205201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.205201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.205201 (E_RNA) where: Base-Base interactions energy: -1.017 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -19.075986 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -1.631 tors. eta vs tors. theta energy: -1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -21.905156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.905156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.905156 (E_RNA) where: Base-Base interactions energy: -5.510 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -16.377958 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -4.219 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: 0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -23.214747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.214747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.214747 (E_RNA) where: Base-Base interactions energy: -3.132 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.080802 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -20.647319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.647319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.647319 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -20.632052 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -24.029494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.029494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.029494 (E_RNA) where: Base-Base interactions energy: -5.388 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.621977 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -4.350 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: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -20.268800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.268800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.268800 (E_RNA) where: Base-Base interactions energy: -1.787 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.184 local terms energy: -18.665802 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -20.477587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.477587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.477587 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -20.577351 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -20.907754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.907754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.907754 (E_RNA) where: Base-Base interactions energy: -2.082 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.824252 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -19.219079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.219079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.219079 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.214726 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.301 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -20.117112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.117112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.117112 (E_RNA) where: Base-Base interactions energy: -0.463 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.653709 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.785 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -2.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -19.142842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.142842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.142842 (E_RNA) where: Base-Base interactions energy: -4.081 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -14.952371 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -1.838 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: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -23.663375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.663375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.663375 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.663354 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -20.839404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.839404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.839404 (E_RNA) where: Base-Base interactions energy: -0.193 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -20.605742 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -2.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -22.008551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.008551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.008551 (E_RNA) where: Base-Base interactions energy: -2.692 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.176 local terms energy: -19.139686 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.644 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -20.287225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.287225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.287225 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -20.219807 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -3.978 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: 5, replica: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -21.141595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.141595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.141595 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.141234 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -4.195 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: 6, replica: 9 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -23.343809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.343809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.343809 (E_RNA) where: Base-Base interactions energy: -5.714 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -17.569717 where: bonds (distance) C4'-P energy: -3.454 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: 0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -19.888597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.888597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.888597 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.887519 where: bonds (distance) C4'-P energy: -4.190 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -2.722 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: 8, replica: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -19.993555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.993555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.993555 (E_RNA) where: Base-Base interactions energy: 0.034 where: short stacking energy: 0.034 Base-Backbone interact. energy: -0.170 local terms energy: -19.857039 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -19.644463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.644463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.644463 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.639494 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: -2.740 tors. eta vs tors. theta energy: -0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -20.070944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.070944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.070944 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.942 local terms energy: -19.129073 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: 1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -20.222806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.222806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.222806 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.949 local terms energy: -19.273656 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: 1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -21.447687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.447687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.447687 (E_RNA) where: Base-Base interactions energy: -2.903 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -18.505486 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -3.470 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: 3, replica: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -24.039218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.039218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.039218 (E_RNA) where: Base-Base interactions energy: -2.618 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.416665 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -4.591 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: 4, replica: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -22.003470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.003470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.003470 (E_RNA) where: Base-Base interactions energy: -5.289 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.192 local terms energy: -16.522653 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -2.881 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: 10 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -20.259006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.259006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.259006 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.463 local terms energy: -19.796324 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -0.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -19.759396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.759396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.759396 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -19.697449 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -20.474842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.474842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.474842 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.472693 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.875 flat angles P-C4'-P energy: -4.284 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: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -21.028278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.028278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.028278 (E_RNA) where: Base-Base interactions energy: 0.004 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.032254 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -2.955 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: 9, replica: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -20.129002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.129002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.129002 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.127295 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: 0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -18.879145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.879145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.879145 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.878413 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -2.350 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: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -22.294022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.294022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.294022 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.293948 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -21.228250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.228250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.228250 (E_RNA) where: Base-Base interactions energy: -4.554 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.204 local terms energy: -16.470201 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.796 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: 3, replica: 7 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -19.249896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.249896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.249896 (E_RNA) where: Base-Base interactions energy: 0.010 where: short stacking energy: 0.010 Base-Backbone interact. energy: -0.052 local terms energy: -19.207163 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -4.088 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: 4, replica: 5 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -21.390790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.390790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.390790 (E_RNA) where: Base-Base interactions energy: -4.159 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -17.222479 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: 0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -21.827461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.827461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.827461 (E_RNA) where: Base-Base interactions energy: -2.853 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.955070 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -21.272628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.272628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.272628 (E_RNA) where: Base-Base interactions energy: -0.126 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -21.047458 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -19.488698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.488698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.488698 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -19.428736 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -20.938372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.938372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.938372 (E_RNA) where: Base-Base interactions energy: -5.061 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -15.865082 where: bonds (distance) C4'-P energy: -3.437 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -3.129 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: 0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -19.669737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.669737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.669737 (E_RNA) where: Base-Base interactions energy: -4.476 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.063 local terms energy: -15.131152 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.414 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -3.406 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: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -19.962618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.962618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.962618 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.941822 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -21.274700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.274700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.274700 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.041 local terms energy: -21.333832 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -3.910 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: 2, replica: 7 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -24.378443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.378443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.378443 (E_RNA) where: Base-Base interactions energy: -2.523 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -21.825155 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -4.189 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: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -22.080045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.080045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.080045 (E_RNA) where: Base-Base interactions energy: -1.511 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.398 local terms energy: -20.170456 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -4.480 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: 4, replica: 4 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -20.829880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.829880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.829880 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.829880 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -1.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -18.321521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.321521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.321521 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.314389 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -2.264 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -20.728282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.728282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.728282 (E_RNA) where: Base-Base interactions energy: -4.318 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -16.265975 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -3.510 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: 7, replica: 10 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -19.171010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.171010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.171010 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.163682 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -1.932 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: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -23.532938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.532938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.532938 (E_RNA) where: Base-Base interactions energy: -5.676 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -17.775722 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -3.490 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: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -19.380804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.380804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.380804 (E_RNA) where: Base-Base interactions energy: 0.480 where: short stacking energy: 0.480 Base-Backbone interact. energy: -0.000 local terms energy: -19.860386 where: bonds (distance) C4'-P energy: -4.013 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -20.320773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.320773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.320773 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.320285 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -1.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -21.616007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.616007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.616007 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.098 local terms energy: -21.817880 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.643 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -22.199867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.199867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.199867 (E_RNA) where: Base-Base interactions energy: -0.122 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -22.071451 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.152 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: 3, replica: 4 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -21.233273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.233273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.233273 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.232191 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -4.255 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: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -20.445657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.445657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.445657 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.701 local terms energy: -19.745042 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -19.323635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.323635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.323635 (E_RNA) where: Base-Base interactions energy: -1.917 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -17.386605 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.693 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: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -20.358542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.358542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.358542 (E_RNA) where: Base-Base interactions energy: 0.784 where: short stacking energy: 0.784 Base-Backbone interact. energy: -0.032 local terms energy: -21.109745 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -4.446 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: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -19.897243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.897243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.897243 (E_RNA) where: Base-Base interactions energy: -1.890 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -17.920453 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: 1.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -18.751305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.751305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.751305 (E_RNA) where: Base-Base interactions energy: 0.090 where: short stacking energy: 0.090 Base-Backbone interact. energy: -0.000 local terms energy: -18.841380 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.788 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: 0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -19.584060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.584060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.584060 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.583870 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -19.662633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.662633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.662633 (E_RNA) where: Base-Base interactions energy: -2.765 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.678 local terms energy: -16.219590 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -3.705 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: 1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -25.296416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.296416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.296416 (E_RNA) where: Base-Base interactions energy: -5.850 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -19.404754 where: bonds (distance) C4'-P energy: -3.660 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -21.688217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.688217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.688217 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.788040 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -21.054269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.054269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.054269 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.053370 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -3.421 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: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -21.718599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.718599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.718599 (E_RNA) where: Base-Base interactions energy: -1.920 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.797636 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -20.776960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.776960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.776960 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.776955 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -19.406558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.406558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.406558 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.193 local terms energy: -19.213941 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -2.279 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: 389 Temperature: 1.200000 Total energy: -19.909923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.909923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.909923 (E_RNA) where: Base-Base interactions energy: -4.786 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -15.103892 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -2.913 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: 8, replica: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -21.111678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.111678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.111678 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.211182 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.017 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: 9, replica: 10 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -19.442719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.442719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.442719 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.126 local terms energy: -19.568399 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -19.904104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.904104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.904104 (E_RNA) where: Base-Base interactions energy: -4.237 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -15.541030 where: bonds (distance) C4'-P energy: -2.240 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.454 flat angles P-C4'-P energy: -3.961 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: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -23.780758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.780758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.780758 (E_RNA) where: Base-Base interactions energy: -3.417 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.363275 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.174 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -22.203347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.203347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.203347 (E_RNA) where: Base-Base interactions energy: -2.515 where: short stacking energy: 0.234 Base-Backbone interact. energy: -0.014 local terms energy: -19.673873 where: bonds (distance) C4'-P energy: -3.023 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -2.721 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: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -20.306471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.306471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.306471 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -20.275328 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -0.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -21.527259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.527259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.527259 (E_RNA) where: Base-Base interactions energy: -1.698 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.271 local terms energy: -19.558447 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -4.342 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: 5, replica: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -20.940046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.940046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.940046 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.171 local terms energy: -20.968662 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -20.524025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.524025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.524025 (E_RNA) where: Base-Base interactions energy: -2.369 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -18.063378 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -4.533 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: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -19.169374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.169374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.169374 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.168905 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -19.058160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.058160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.058160 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.046068 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: 0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -20.886991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.886991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.886991 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -20.805060 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -20.582850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.582850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.582850 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.582766 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -21.702728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.702728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.702728 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.702174 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -3.328 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: 2, replica: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -20.681721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.681721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.681721 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -20.658032 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.811 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: 3, replica: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -20.097516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.097516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.097516 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.217 local terms energy: -20.314094 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -3.808 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: 4, replica: 6 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -19.765351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.765351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.765351 (E_RNA) where: Base-Base interactions energy: -1.145 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -18.562052 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -2.086 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: 5, replica: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -18.957967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.957967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.957967 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.133 local terms energy: -18.825375 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.442 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -20.196709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.196709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.196709 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.185288 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.660 flat angles P-C4'-P energy: -4.074 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: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -19.980134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.980134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.980134 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.222 local terms energy: -19.757974 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -19.902837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.902837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.902837 (E_RNA) where: Base-Base interactions energy: 0.487 where: short stacking energy: 0.487 Base-Backbone interact. energy: -0.000 local terms energy: -20.389417 where: bonds (distance) C4'-P energy: -3.512 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -3.987 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: 9, replica: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -20.886303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.886303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.886303 (E_RNA) where: Base-Base interactions energy: -3.336 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.207 local terms energy: -17.343445 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.627 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: 10, replica: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -19.101474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.101474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.101474 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.101452 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -21.127440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.127440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.127440 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -21.060712 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -22.273579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.273579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.273579 (E_RNA) where: Base-Base interactions energy: -4.063 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.206954 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: 0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -22.699788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.699788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.699788 (E_RNA) where: Base-Base interactions energy: -3.794 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.905 local terms energy: -18.001420 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.498 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: 4, replica: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -20.036184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.036184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.036184 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.230 local terms energy: -19.806338 where: bonds (distance) C4'-P energy: -4.015 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -4.246 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: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -20.389523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.389523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.389523 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.385352 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -23.063861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.063861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.063861 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -23.037954 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -4.296 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: 7, replica: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -20.319456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319456 (E_RNA) where: Base-Base interactions energy: -4.484 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.678 local terms energy: -16.513658 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: 2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -20.349637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.349637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.349637 (E_RNA) where: Base-Base interactions energy: -0.894 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.455070 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -20.394350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.394350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.394350 (E_RNA) where: Base-Base interactions energy: 0.747 where: short stacking energy: 0.747 Base-Backbone interact. energy: -0.001 local terms energy: -21.140929 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -2.178 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: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -18.905599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.905599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.905599 (E_RNA) where: Base-Base interactions energy: 0.246 where: short stacking energy: 0.246 Base-Backbone interact. energy: -0.193 local terms energy: -18.958328 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: 0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -22.388062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.388062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.388062 (E_RNA) where: Base-Base interactions energy: 0.182 where: short stacking energy: 0.182 Base-Backbone interact. energy: -0.001 local terms energy: -22.569164 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -21.843908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.843908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.843908 (E_RNA) where: Base-Base interactions energy: -1.816 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.022989 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -19.936786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.936786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.936786 (E_RNA) where: Base-Base interactions energy: -1.731 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.199 local terms energy: -18.404970 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.445 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: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -20.722267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.722267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.722267 (E_RNA) where: Base-Base interactions energy: -3.571 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -17.114993 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: 2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -22.577659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.577659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.577659 (E_RNA) where: Base-Base interactions energy: 0.266 where: short stacking energy: 0.266 Base-Backbone interact. energy: -0.000 local terms energy: -22.843865 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -5.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -19.942369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.942369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.942369 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.942243 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -19.601987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.601987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.601987 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.403 local terms energy: -19.198687 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.373 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: 8, replica: 5 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -19.362613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.362613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.362613 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -19.287234 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: 1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -19.489918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.489918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.489918 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -19.405876 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: 1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -19.444296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.444296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.444296 (E_RNA) where: Base-Base interactions energy: -3.779 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -15.656631 where: bonds (distance) C4'-P energy: -2.224 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -21.533948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.533948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.533948 (E_RNA) where: Base-Base interactions energy: -1.695 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -19.746169 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: 0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -23.253476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.253476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.253476 (E_RNA) where: Base-Base interactions energy: -1.882 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.367870 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -4.561 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: 3, replica: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -21.266983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.266983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.266983 (E_RNA) where: Base-Base interactions energy: -2.970 where: short stacking energy: 0.071 Base-Backbone interact. energy: -0.100 local terms energy: -18.196608 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.273 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -2.789 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: 4, replica: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -21.874427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.874427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.874427 (E_RNA) where: Base-Base interactions energy: -4.593 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.528 local terms energy: -17.808828 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: 0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -20.786152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.786152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.786152 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.360 local terms energy: -20.425980 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -1.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -20.669885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.669885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.669885 (E_RNA) where: Base-Base interactions energy: -0.168 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.498740 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -2.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -19.687786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.687786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.687786 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.044 local terms energy: -19.643529 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -2.444 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: 8, replica: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -19.652585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.652585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.652585 (E_RNA) where: Base-Base interactions energy: -5.393 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -14.150392 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -2.060 tors. eta vs tors. theta energy: 2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -20.588083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.588083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.588083 (E_RNA) where: Base-Base interactions energy: -4.409 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.591 local terms energy: -15.588329 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.264 flat angles P-C4'-P energy: -2.239 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -20.637081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.637081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.637081 (E_RNA) where: Base-Base interactions energy: -0.125 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.160 local terms energy: -20.352354 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -21.340395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.340395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.340395 (E_RNA) where: Base-Base interactions energy: -5.055 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -16.282870 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: 2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -23.070467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.070467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.070467 (E_RNA) where: Base-Base interactions energy: -2.992 where: short stacking energy: 0.011 Base-Backbone interact. energy: -0.071 local terms energy: -20.007157 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -3.876 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: 3, replica: 4 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -22.230642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.230642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.230642 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.569 local terms energy: -20.661270 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -19.935894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.935894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.935894 (E_RNA) where: Base-Base interactions energy: -4.145 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.712 local terms energy: -15.078653 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.089 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: 2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -20.713883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.713883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.713883 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.713613 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -3.144 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: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -18.974636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.974636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.974636 (E_RNA) where: Base-Base interactions energy: 0.393 where: short stacking energy: 0.393 Base-Backbone interact. energy: -0.022 local terms energy: -19.346277 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -19.719193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.719193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.719193 (E_RNA) where: Base-Base interactions energy: -4.413 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -15.306435 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: 1.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -19.606692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.606692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.606692 (E_RNA) where: Base-Base interactions energy: 0.332 where: short stacking energy: 0.332 Base-Backbone interact. energy: -0.220 local terms energy: -19.717956 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.155 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: 9, replica: 3 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -18.991827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.991827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.991827 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.991707 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -18.415911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.415911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.415911 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.349 local terms energy: -18.066773 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: 0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -22.315327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.315327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.315327 (E_RNA) where: Base-Base interactions energy: -3.222 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -19.045010 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -22.947259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.947259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.947259 (E_RNA) where: Base-Base interactions energy: -3.076 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.504 local terms energy: -18.366952 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -22.315794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.315794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.315794 (E_RNA) where: Base-Base interactions energy: -2.681 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.624744 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -23.102667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.102667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.102667 (E_RNA) where: Base-Base interactions energy: -3.572 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.529386 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -22.297842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.297842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.297842 (E_RNA) where: Base-Base interactions energy: -5.061 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -17.207118 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: 3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -21.261663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.261663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.261663 (E_RNA) where: Base-Base interactions energy: -1.810 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.449427 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: 0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -19.460572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.460572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.460572 (E_RNA) where: Base-Base interactions energy: 0.199 where: short stacking energy: 0.199 Base-Backbone interact. energy: -0.000 local terms energy: -19.659502 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -3.621 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: 8, replica: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -19.970253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.970253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.970253 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.970253 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -2.244 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -18.662460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.662460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.662460 (E_RNA) where: Base-Base interactions energy: -1.703 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -16.957783 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -2.367 tors. eta vs tors. theta energy: 0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -18.265943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.265943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.265943 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.265829 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.277 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -21.379111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.379111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.379111 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.854 local terms energy: -20.525557 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -21.120916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.120916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.120916 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.118811 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -22.788811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.788811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.788811 (E_RNA) where: Base-Base interactions energy: -4.440 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -18.334856 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: 2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -20.317350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.317350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.317350 (E_RNA) where: Base-Base interactions energy: -2.259 where: short stacking energy: 0.031 Base-Backbone interact. energy: -0.050 local terms energy: -18.008750 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.578 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: 5, replica: 9 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -22.061532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.061532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.061532 (E_RNA) where: Base-Base interactions energy: 0.241 where: short stacking energy: 0.241 Base-Backbone interact. energy: -0.093 local terms energy: -22.209537 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.796 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: 6, replica: 10 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -21.668611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.668611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.668611 (E_RNA) where: Base-Base interactions energy: -5.795 where: short stacking energy: 0.117 Base-Backbone interact. energy: -0.055 local terms energy: -15.818660 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.317 flat angles P-C4'-P energy: -3.251 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: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -18.983323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.983323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.983323 (E_RNA) where: Base-Base interactions energy: 0.016 where: short stacking energy: 0.016 Base-Backbone interact. energy: -0.018 local terms energy: -18.980763 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: 0.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -20.707613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.707613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.707613 (E_RNA) where: Base-Base interactions energy: 0.961 where: short stacking energy: 0.961 Base-Backbone interact. energy: -0.053 local terms energy: -21.615290 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -4.724 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: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -19.271935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.271935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.271935 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -19.162652 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -3.536 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: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -20.014272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.014272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.014272 (E_RNA) where: Base-Base interactions energy: -4.288 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -15.668336 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -1.907 tors. eta vs tors. theta energy: 1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -21.983481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.983481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.983481 (E_RNA) where: Base-Base interactions energy: 0.127 where: short stacking energy: 0.127 Base-Backbone interact. energy: -0.068 local terms energy: -22.042922 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -3.010 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: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -21.215426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.215426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.215426 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -21.202422 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -21.097198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.097198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.097198 (E_RNA) where: Base-Base interactions energy: -1.504 where: short stacking energy: 0.314 Base-Backbone interact. energy: -0.000 local terms energy: -19.593132 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -3.272 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: 4, replica: 5 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -21.526341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.526341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.526341 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.526339 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -21.411282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.411282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.411282 (E_RNA) where: Base-Base interactions energy: -5.412 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -15.892856 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -3.558 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: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -20.284342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.284342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.284342 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.284133 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: 0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -21.143514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.143514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.143514 (E_RNA) where: Base-Base interactions energy: -4.533 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -16.585516 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -1.814 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: 0.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -21.806814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.806814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.806814 (E_RNA) where: Base-Base interactions energy: -6.017 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -15.731268 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.972 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: 9, replica: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -19.235328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.235328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.235328 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.499 local terms energy: -18.736546 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: 0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -18.665933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.665933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.665933 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.408 local terms energy: -19.073878 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -2.108 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: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -23.303081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.303081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.303081 (E_RNA) where: Base-Base interactions energy: -5.258 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.201 local terms energy: -17.844514 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -1.441 tors. eta vs tors. theta energy: -0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -22.206761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.206761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.206761 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.205287 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -20.543455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.543455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.543455 (E_RNA) where: Base-Base interactions energy: -5.061 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.141 local terms energy: -15.340910 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.985 flat angles P-C4'-P energy: -3.475 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: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -19.565186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.565186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.565186 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.565174 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -19.788929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.788929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.788929 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.784811 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -0.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -20.934162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.934162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.934162 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.930595 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -20.191869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.191869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.191869 (E_RNA) where: Base-Base interactions energy: 0.075 where: short stacking energy: 0.075 Base-Backbone interact. energy: -0.077 local terms energy: -20.190369 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -18.413464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.413464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.413464 (E_RNA) where: Base-Base interactions energy: -1.287 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.053 local terms energy: -17.072979 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: 0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -18.716571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.716571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.716571 (E_RNA) where: Base-Base interactions energy: -1.473 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -17.234285 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: 1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -19.443472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.443472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.443472 (E_RNA) where: Base-Base interactions energy: -1.312 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -18.117791 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.242 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -23.228921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.228921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.228921 (E_RNA) where: Base-Base interactions energy: -5.099 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -18.022360 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: 2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -21.014523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.014523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.014523 (E_RNA) where: Base-Base interactions energy: -2.473 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.521527 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: 1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -22.851690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.851690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.851690 (E_RNA) where: Base-Base interactions energy: -3.274 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -19.542199 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -2.820 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: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -20.011589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.011589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.011589 (E_RNA) where: Base-Base interactions energy: -4.460 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -15.458536 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -3.488 flat angles P-C4'-P energy: -1.475 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: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -21.723481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.723481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.723481 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -21.665243 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -20.979446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.979446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.979446 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -21.279038 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -2.531 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -19.639991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.639991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.639991 (E_RNA) where: Base-Base interactions energy: -2.508 where: short stacking energy: 0.042 Base-Backbone interact. energy: -0.014 local terms energy: -17.118027 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: 1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -19.452842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.452842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.452842 (E_RNA) where: Base-Base interactions energy: 0.458 where: short stacking energy: 0.200 Base-Backbone interact. energy: 0.242 local terms energy: -20.153513 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -20.596509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.596509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.596509 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.596506 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -19.965562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.965562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.965562 (E_RNA) where: Base-Base interactions energy: -0.434 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.483972 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -24.263053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.263053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.263053 (E_RNA) where: Base-Base interactions energy: -5.324 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -18.917673 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -3.445 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: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -22.597708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.597708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.597708 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.596464 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -2.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -22.396351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.396351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.396351 (E_RNA) where: Base-Base interactions energy: -3.466 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.830108 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -4.637 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: 4, replica: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -21.194391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.194391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.194391 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -21.132780 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -18.924812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.924812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.924812 (E_RNA) where: Base-Base interactions energy: -1.469 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -17.452269 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -3.059 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: 6, replica: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -21.242700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.242700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.242700 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.327 local terms energy: -20.915692 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.066 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: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -21.667017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.667017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.667017 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -21.644179 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.257 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: 8, replica: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -19.929230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.929230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.929230 (E_RNA) where: Base-Base interactions energy: -5.563 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.294 local terms energy: -14.071894 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: 2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -20.476929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.476929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.476929 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.476875 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -19.621725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.621725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.621725 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -19.721708 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -2.087 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: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -22.581364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.581364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.581364 (E_RNA) where: Base-Base interactions energy: -0.139 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.958 local terms energy: -20.484959 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -20.698434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.698434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.698434 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.689764 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.124 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: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -21.414916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.414916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.414916 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.414909 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -22.324441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.324441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.324441 (E_RNA) where: Base-Base interactions energy: -5.602 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.116 local terms energy: -16.606598 where: bonds (distance) C4'-P energy: -3.880 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -2.360 tors. eta vs tors. theta energy: 0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -19.934533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.934533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.934533 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -20.034510 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -2.820 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -4.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -21.481691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.481691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.481691 (E_RNA) where: Base-Base interactions energy: -5.768 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -15.705447 where: bonds (distance) C4'-P energy: -3.188 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: 1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -20.971719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.971719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.971719 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.969415 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -3.459 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: 8, replica: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -20.119659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.119659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.119659 (E_RNA) where: Base-Base interactions energy: -4.810 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -15.294813 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -2.608 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: 9, replica: 6 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -18.281009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.281009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.281009 (E_RNA) where: Base-Base interactions energy: -1.952 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -16.328504 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.357 flat angles C4'-P-C4' energy: -2.720 flat angles P-C4'-P energy: -3.267 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: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -19.559993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.559993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.559993 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.559940 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -28.434478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.434478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.434478 (E_RNA) where: Base-Base interactions energy: -9.791 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.315 local terms energy: -18.328074 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: 2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -21.328731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.328731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.328731 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.328725 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -2.993 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: 3, replica: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -23.462479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.462479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.462479 (E_RNA) where: Base-Base interactions energy: -4.925 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -18.437970 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: 0.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -21.441486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.441486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.441486 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.441474 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.217 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: 5, replica: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -20.920827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.920827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.920827 (E_RNA) where: Base-Base interactions energy: -2.632 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.288466 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -2.983 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: 6, replica: 7 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -23.223202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.223202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.223202 (E_RNA) where: Base-Base interactions energy: -2.915 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -20.239763 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -4.116 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: 2 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -20.210331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.210331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.210331 (E_RNA) where: Base-Base interactions energy: -4.726 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -15.396189 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -2.747 tors. eta vs tors. theta energy: 1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -20.521395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.521395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.521395 (E_RNA) where: Base-Base interactions energy: -2.507 where: short stacking energy: 0.148 Base-Backbone interact. energy: -0.091 local terms energy: -17.923165 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -2.877 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: 9, replica: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -19.615338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.615338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.615338 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.166 local terms energy: -19.449601 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -2.958 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: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -20.754743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.754743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.754743 (E_RNA) where: Base-Base interactions energy: -5.373 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -15.371512 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.441 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: 1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -21.880642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.880642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.880642 (E_RNA) where: Base-Base interactions energy: -5.531 where: short stacking energy: 0.018 Base-Backbone interact. energy: -0.076 local terms energy: -16.273921 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -2.908 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: 2, replica: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -22.462185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.462185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.462185 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.462178 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -3.838 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: 3, replica: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -22.423247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.423247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.423247 (E_RNA) where: Base-Base interactions energy: -5.574 where: short stacking energy: 0.107 Base-Backbone interact. energy: -0.038 local terms energy: -16.811120 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.655 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: 1 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -19.206880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.206880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.206880 (E_RNA) where: Base-Base interactions energy: -0.454 where: short stacking energy: 0.259 Base-Backbone interact. energy: -0.080 local terms energy: -18.673414 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: 0.717 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: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -20.900663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.900663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.900663 (E_RNA) where: Base-Base interactions energy: -4.460 where: short stacking energy: 0.202 Base-Backbone interact. energy: -0.034 local terms energy: -16.406651 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.593 flat angles P-C4'-P energy: -2.338 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: 6, replica: 4 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -20.037891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.037891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.037891 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.443 local terms energy: -19.595390 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.173 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.772 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: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -21.508073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.508073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.508073 (E_RNA) where: Base-Base interactions energy: -1.279 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -20.159315 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -19.525872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.525872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.525872 (E_RNA) where: Base-Base interactions energy: -2.900 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -16.519394 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.427 flat angles C4'-P-C4' energy: -4.077 flat angles P-C4'-P energy: -2.948 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: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -18.487681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.487681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.487681 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.369 local terms energy: -18.119072 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -1.523 tors. eta vs tors. theta energy: -1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -20.441594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.441594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.441594 (E_RNA) where: Base-Base interactions energy: -5.503 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.069 local terms energy: -14.868761 where: bonds (distance) C4'-P energy: -2.078 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.666 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: 0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -22.182354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.182354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.182354 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -22.178344 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -3.655 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: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -21.874316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.874316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.874316 (E_RNA) where: Base-Base interactions energy: -3.831 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.041246 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -2.549 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -22.776124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.776124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.776124 (E_RNA) where: Base-Base interactions energy: -2.597 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -20.124444 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: 0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -21.296328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.296328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.296328 (E_RNA) where: Base-Base interactions energy: -5.172 where: short stacking energy: 0.437 Base-Backbone interact. energy: -0.387 local terms energy: -15.737657 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -1.811 flat angles P-C4'-P energy: -3.423 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: 5, replica: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -21.419086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.419086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.419086 (E_RNA) where: Base-Base interactions energy: -1.610 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -19.696248 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: 0.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -20.978071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.978071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.978071 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.978048 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -1.923 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: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -20.970631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.970631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.970631 (E_RNA) where: Base-Base interactions energy: -3.861 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -17.002880 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -1.754 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: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -19.529116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.529116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.529116 (E_RNA) where: Base-Base interactions energy: -1.299 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -18.119822 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: 1.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -19.361859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.361859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.361859 (E_RNA) where: Base-Base interactions energy: -5.220 where: short stacking energy: 0.086 Base-Backbone interact. energy: -0.148 local terms energy: -13.994244 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -1.227 tors. eta vs tors. theta energy: 2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -19.584608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.584608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.584608 (E_RNA) where: Base-Base interactions energy: -5.072 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -14.430307 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -1.786 flat angles P-C4'-P energy: -3.301 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: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -23.620010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.620010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.620010 (E_RNA) where: Base-Base interactions energy: -4.387 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -19.210069 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: 0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -19.856717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.856717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.856717 (E_RNA) where: Base-Base interactions energy: -2.962 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -16.827882 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -1.733 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: 3, replica: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -20.872696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.872696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.872696 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -20.759728 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -4.569 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: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -20.784325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.784325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.784325 (E_RNA) where: Base-Base interactions energy: -2.277 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -18.423781 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.158 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: 5, replica: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -22.638886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.638886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.638886 (E_RNA) where: Base-Base interactions energy: -5.265 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -17.282797 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: 1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -21.457113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.457113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.457113 (E_RNA) where: Base-Base interactions energy: -3.714 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.742442 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -2.443 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -20.262086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.262086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.262086 (E_RNA) where: Base-Base interactions energy: -1.639 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -18.516660 where: bonds (distance) C4'-P energy: -4.430 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -1.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -20.185501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.185501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.185501 (E_RNA) where: Base-Base interactions energy: -0.962 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.220530 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.268 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -20.361312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.361312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.361312 (E_RNA) where: Base-Base interactions energy: 0.431 where: short stacking energy: 0.431 Base-Backbone interact. energy: -0.862 local terms energy: -19.930543 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -18.901046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.901046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.901046 (E_RNA) where: Base-Base interactions energy: -0.026 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -18.875082 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -1.613 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -23.024708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.024708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.024708 (E_RNA) where: Base-Base interactions energy: -2.409 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.609910 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -3.004 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: 2, replica: 7 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -20.312437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.312437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.312437 (E_RNA) where: Base-Base interactions energy: -3.366 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -16.835946 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -1.192 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: 3, replica: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -22.071055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.071055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.071055 (E_RNA) where: Base-Base interactions energy: -1.328 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -20.720197 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -4.273 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: 4, replica: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -21.441623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.441623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.441623 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.089 local terms energy: -21.452436 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.022 flat angles P-C4'-P energy: -4.582 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: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -20.481018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.481018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.481018 (E_RNA) where: Base-Base interactions energy: -1.608 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -18.850675 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: 1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -20.234667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.234667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.234667 (E_RNA) where: Base-Base interactions energy: -4.063 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.172 local terms energy: -14.999240 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -2.897 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: 1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -19.682866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.682866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.682866 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.682118 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: 1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -19.862450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.862450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.862450 (E_RNA) where: Base-Base interactions energy: -4.477 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -15.324807 where: bonds (distance) C4'-P energy: -3.259 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: 1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -19.365762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.365762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.365762 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -19.305672 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.223 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: 10, replica: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -19.624407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.624407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.624407 (E_RNA) where: Base-Base interactions energy: 0.033 where: short stacking energy: 0.033 Base-Backbone interact. energy: -0.001 local terms energy: -19.656183 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -2.789 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: 7 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -21.673790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.673790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.673790 (E_RNA) where: Base-Base interactions energy: -1.541 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -20.071300 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -4.270 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: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -22.679192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.679192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.679192 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -22.584190 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -21.698401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.698401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.698401 (E_RNA) where: Base-Base interactions energy: 0.023 where: short stacking energy: 0.023 Base-Backbone interact. energy: -0.000 local terms energy: -21.721432 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -20.193984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.193984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.193984 (E_RNA) where: Base-Base interactions energy: 0.531 where: short stacking energy: 0.531 Base-Backbone interact. energy: -0.196 local terms energy: -20.529177 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -21.299993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.299993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.299993 (E_RNA) where: Base-Base interactions energy: -2.731 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.423 local terms energy: -18.145993 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -4.407 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: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -19.894656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.894656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.894656 (E_RNA) where: Base-Base interactions energy: -4.037 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.138 local terms energy: -15.719414 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -2.609 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: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -19.594940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.594940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.594940 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -19.557089 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -19.783059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.783059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.783059 (E_RNA) where: Base-Base interactions energy: -2.925 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -16.800922 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.392 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: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -20.314094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.314094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.314094 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.314058 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -21.419557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.419557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.419557 (E_RNA) where: Base-Base interactions energy: -4.121 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.710 local terms energy: -16.589490 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: 1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -23.329645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.329645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.329645 (E_RNA) where: Base-Base interactions energy: -4.697 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.624012 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.417 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: 2, replica: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -23.387141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.387141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.387141 (E_RNA) where: Base-Base interactions energy: -4.798 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.581137 where: bonds (distance) C4'-P energy: -3.739 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -2.159 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -21.218761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.218761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.218761 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.218654 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -22.288944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.288944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.288944 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -22.277803 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -20.963145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.963145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.963145 (E_RNA) where: Base-Base interactions energy: -3.072 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -17.843116 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -4.213 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: 6, replica: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -20.712583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.712583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.712583 (E_RNA) where: Base-Base interactions energy: -4.963 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -15.729889 where: bonds (distance) C4'-P energy: -2.646 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: 2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -19.461217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.461217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.461217 (E_RNA) where: Base-Base interactions energy: -1.635 where: short stacking energy: 0.884 Base-Backbone interact. energy: -0.064 local terms energy: -17.761947 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -19.849952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.849952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.849952 (E_RNA) where: Base-Base interactions energy: -2.183 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.157 local terms energy: -17.509958 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.007 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: 9, replica: 1 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -20.640520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.640520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.640520 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.639724 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -20.545464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.545464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.545464 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -20.524563 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -3.176 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: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -21.607775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.607775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.607775 (E_RNA) where: Base-Base interactions energy: 0.043 where: short stacking energy: 0.043 Base-Backbone interact. energy: -0.000 local terms energy: -21.650865 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -3.660 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: 2, replica: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -21.720632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.720632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.720632 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.719459 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -20.165895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.165895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.165895 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -20.126494 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -4.427 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: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -23.157161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.157161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.157161 (E_RNA) where: Base-Base interactions energy: -5.885 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.145 local terms energy: -17.126636 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -4.262 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: 5, replica: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -20.802900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.802900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.802900 (E_RNA) where: Base-Base interactions energy: -1.282 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -19.463509 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -4.311 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: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -20.275670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.275670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.275670 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.273290 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -2.856 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: 410 Temperature: 1.200000 Total energy: -20.661231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.661231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.661231 (E_RNA) where: Base-Base interactions energy: 0.259 where: short stacking energy: 0.259 Base-Backbone interact. energy: -0.000 local terms energy: -20.919753 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -2.514 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -20.138332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.138332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.138332 (E_RNA) where: Base-Base interactions energy: -0.528 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.510295 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -19.777918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.777918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.777918 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -19.712186 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: 0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -20.248293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.248293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.248293 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -20.188949 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -3.920 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: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -23.002928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.002928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.002928 (E_RNA) where: Base-Base interactions energy: -4.043 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -18.885140 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -3.676 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: 2, replica: 7 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -21.432520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.432520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.432520 (E_RNA) where: Base-Base interactions energy: -5.726 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.539 local terms energy: -16.246005 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: 2.701 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: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -20.629221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.629221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.629221 (E_RNA) where: Base-Base interactions energy: -0.916 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -19.706385 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: 2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -20.909829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.909829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.909829 (E_RNA) where: Base-Base interactions energy: -2.103 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -18.716894 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: 0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -20.212802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.212802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.212802 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.002 local terms energy: -20.310392 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.447 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: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -19.986715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.986715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.986715 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.887660 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -3.738 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: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -18.702165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.702165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.702165 (E_RNA) where: Base-Base interactions energy: 0.047 where: short stacking energy: 0.047 Base-Backbone interact. energy: -0.001 local terms energy: -18.748254 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -1.637 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: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -19.674512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.674512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.674512 (E_RNA) where: Base-Base interactions energy: -1.725 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -17.941872 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: 0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -18.522664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.522664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.522664 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -18.434460 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: 0.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -18.096852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.096852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.096852 (E_RNA) where: Base-Base interactions energy: -1.825 where: short stacking energy: 0.095 Base-Backbone interact. energy: -0.004 local terms energy: -16.267866 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: 1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -22.579187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.579187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.579187 (E_RNA) where: Base-Base interactions energy: -3.739 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -18.700757 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -4.444 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: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -21.100109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.100109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.100109 (E_RNA) where: Base-Base interactions energy: -0.578 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.025 local terms energy: -19.496452 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -1.762 flat angles P-C4'-P energy: -4.380 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: 3, replica: 4 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -24.344465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.344465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.344465 (E_RNA) where: Base-Base interactions energy: -4.728 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.958 local terms energy: -20.574836 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -23.080535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.080535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.080535 (E_RNA) where: Base-Base interactions energy: -1.722 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -21.261286 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.883 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: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -21.606330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.606330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.606330 (E_RNA) where: Base-Base interactions energy: -4.792 where: short stacking energy: 0.275 Base-Backbone interact. energy: -0.197 local terms energy: -16.617720 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -3.508 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: 6, replica: 3 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -19.201787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.201787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.201787 (E_RNA) where: Base-Base interactions energy: -0.237 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -18.878976 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.514 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: 412 Temperature: 1.200000 Total energy: -20.012175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.012175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.012175 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.008434 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -3.726 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: 8, replica: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -19.410557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.410557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.410557 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.412 local terms energy: -18.998647 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.582 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: 9, replica: 1 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -18.324124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.324124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.324124 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.324113 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.529 flat angles P-C4'-P energy: -2.442 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: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -20.586688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.586688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.586688 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.586308 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.303 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: 1, replica: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -20.169298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.169298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.169298 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.169296 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -3.471 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: 2, replica: 4 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -25.377808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.377808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.377808 (E_RNA) where: Base-Base interactions energy: -6.059 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -19.304663 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -0.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -22.913984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.913984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.913984 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -22.849507 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -4.835 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: 4, replica: 5 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -20.895609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.895609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.895609 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.894724 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -18.845661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.845661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.845661 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -18.826111 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: 0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -21.004127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.004127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.004127 (E_RNA) where: Base-Base interactions energy: -2.973 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -18.006338 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.103 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: 3 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -20.728051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.728051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.728051 (E_RNA) where: Base-Base interactions energy: -1.881 where: short stacking energy: 0.425 Base-Backbone interact. energy: -0.038 local terms energy: -18.809226 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -21.789363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.789363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.789363 (E_RNA) where: Base-Base interactions energy: -0.920 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.869461 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -17.745601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.745601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.745601 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -17.695577 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -1.973 tors. eta vs tors. theta energy: 0.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -18.723714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.723714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.723714 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -18.660119 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: 0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -22.241698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.241698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.241698 (E_RNA) where: Base-Base interactions energy: -2.631 where: short stacking energy: 0.131 Base-Backbone interact. energy: -0.069 local terms energy: -19.542115 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: 0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -22.059634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.059634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.059634 (E_RNA) where: Base-Base interactions energy: -1.895 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.521 local terms energy: -19.643259 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -21.670588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.670588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.670588 (E_RNA) where: Base-Base interactions energy: -6.627 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.186 local terms energy: -14.857466 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -1.834 tors. eta vs tors. theta energy: 1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -21.869299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.869299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.869299 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.869083 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.157 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: 5, replica: 9 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -22.505013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.505013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.505013 (E_RNA) where: Base-Base interactions energy: -4.676 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.123 local terms energy: -17.706062 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -4.228 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: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -19.881467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.881467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.881467 (E_RNA) where: Base-Base interactions energy: -4.863 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -15.000362 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -2.979 flat angles P-C4'-P energy: -3.443 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: 414 Temperature: 1.200000 Total energy: -20.955072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.955072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.955072 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.954979 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -20.732548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.732548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.732548 (E_RNA) where: Base-Base interactions energy: -2.199 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.532828 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: 0.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -19.242887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.242887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.242887 (E_RNA) where: Base-Base interactions energy: -3.884 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -15.274957 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: 1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -20.313369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.313369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.313369 (E_RNA) where: Base-Base interactions energy: -5.458 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.333 local terms energy: -14.522932 where: bonds (distance) C4'-P energy: -2.708 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: 1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -22.565708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.565708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.565708 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -22.561547 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -4.146 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: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -20.940251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.940251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.940251 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.940248 where: bonds (distance) C4'-P energy: -2.650 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.359 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: 415 Temperature: 1.000000 Total energy: -20.577709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.577709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.577709 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.574011 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.427 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: 4, replica: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -21.721074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.721074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.721074 (E_RNA) where: Base-Base interactions energy: -3.017 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.185 local terms energy: -18.519065 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -4.027 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: 5, replica: 8 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -20.436667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.436667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.436667 (E_RNA) where: Base-Base interactions energy: 0.600 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.000 local terms energy: -21.036319 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -2.702 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: 6, replica: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -21.838753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.838753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.838753 (E_RNA) where: Base-Base interactions energy: -1.228 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -20.551319 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -21.835478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.835478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.835478 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.651 local terms energy: -21.184071 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -4.021 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: 8, replica: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -19.341925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.341925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.341925 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.190 local terms energy: -19.151921 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: 0.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -21.361445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.361445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.361445 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.361438 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -4.281 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: 6 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -20.242237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.242237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.242237 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.897 local terms energy: -19.745480 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: 0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -22.735146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.735146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.735146 (E_RNA) where: Base-Base interactions energy: -6.790 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.078 local terms energy: -16.023207 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: 2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -24.267936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.267936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.267936 (E_RNA) where: Base-Base interactions energy: -5.545 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -18.648878 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: 0.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -21.874666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.874666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.874666 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -21.870314 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -4.475 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: 4, replica: 7 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -21.908283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.908283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.908283 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -21.816773 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.072 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: 5, replica: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -21.020189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.020189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.020189 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -20.931167 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -3.488 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: 6, replica: 8 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -20.902686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.902686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.902686 (E_RNA) where: Base-Base interactions energy: -3.810 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -17.007407 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -3.599 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: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -18.594689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.594689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.594689 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.593716 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.281 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: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -21.002697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.002697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.002697 (E_RNA) where: Base-Base interactions energy: -2.161 where: short stacking energy: 0.575 Base-Backbone interact. energy: -0.098 local terms energy: -18.744009 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.049 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -23.108552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.108552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.108552 (E_RNA) where: Base-Base interactions energy: -4.867 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.321 local terms energy: -17.920571 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.515 flat angles P-C4'-P energy: -1.918 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: 10, replica: 3 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -18.982132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.982132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.982132 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -18.959041 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -4.049 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: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -21.503117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.503117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.503117 (E_RNA) where: Base-Base interactions energy: -4.133 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -17.239581 where: bonds (distance) C4'-P energy: -4.128 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: 0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -23.436684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.436684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.436684 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -23.536681 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -4.094 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: 3, replica: 4 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -20.883432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.883432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.883432 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -20.822211 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -2.783 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -3.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -19.482547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.482547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.482547 (E_RNA) where: Base-Base interactions energy: -1.114 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -18.288460 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.414 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: 0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -20.340331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.340331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.340331 (E_RNA) where: Base-Base interactions energy: -4.969 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -15.276204 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -1.289 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: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -22.643424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.643424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.643424 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -22.635841 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -21.038889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.038889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.038889 (E_RNA) where: Base-Base interactions energy: -3.585 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -17.354627 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -4.094 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: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -20.865384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.865384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.865384 (E_RNA) where: Base-Base interactions energy: -5.976 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.192 local terms energy: -14.697432 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: 3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -18.389573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.389573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.389573 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.377181 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: 0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -20.347140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.347140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.347140 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -20.337492 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -0.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -23.372593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.372593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.372593 (E_RNA) where: Base-Base interactions energy: -5.812 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -17.459656 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -1.329 tors. eta vs tors. theta energy: -1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -21.653746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.653746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.653746 (E_RNA) where: Base-Base interactions energy: -2.826 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -18.797857 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: 0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -20.766107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.766107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.766107 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.763725 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -4.410 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: 4, replica: 4 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -22.228215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.228215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.228215 (E_RNA) where: Base-Base interactions energy: -4.448 where: short stacking energy: 1.000 Base-Backbone interact. energy: -0.007 local terms energy: -17.773018 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -3.833 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: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -19.905087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.905087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.905087 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.904872 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: 0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -20.562945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.562945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.562945 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.562943 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -20.423959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.423959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.423959 (E_RNA) where: Base-Base interactions energy: -5.083 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -15.260403 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.400 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: 1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -22.023711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.023711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.023711 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.023550 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -3.813 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: 9, replica: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -21.074860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.074860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.074860 (E_RNA) where: Base-Base interactions energy: -4.957 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -16.091895 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -1.298 flat angles P-C4'-P energy: -3.060 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: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -19.895117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.895117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.895117 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.895108 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -1.605 tors. eta vs tors. theta energy: -3.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -20.348403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.348403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.348403 (E_RNA) where: Base-Base interactions energy: -1.173 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -19.066685 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -21.866014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.866014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.866014 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.866011 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -4.441 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: 3, replica: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -20.645493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.645493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.645493 (E_RNA) where: Base-Base interactions energy: -2.781 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -17.783435 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -3.501 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: 4, replica: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -20.647570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.647570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.647570 (E_RNA) where: Base-Base interactions energy: -0.154 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.488894 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: 0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -20.222546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.222546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.222546 (E_RNA) where: Base-Base interactions energy: -0.896 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.471 local terms energy: -19.797588 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.692 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: 6, replica: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -18.830210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.830210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.830210 (E_RNA) where: Base-Base interactions energy: 1.448 where: short stacking energy: 1.448 Base-Backbone interact. energy: -0.011 local terms energy: -20.267281 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -22.075200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.075200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.075200 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.074799 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -18.280154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.280154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.280154 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -18.171652 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: 1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -18.923291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.923291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.923291 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.923081 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -19.551237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.551237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.551237 (E_RNA) where: Base-Base interactions energy: -3.469 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.126 local terms energy: -15.956433 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -3.046 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: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -21.993175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.993175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.993175 (E_RNA) where: Base-Base interactions energy: -4.175 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -17.697591 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -2.303 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: 2, replica: 9 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -20.955499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.955499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.955499 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.955495 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.485 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: 3, replica: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -21.118178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.118178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.118178 (E_RNA) where: Base-Base interactions energy: -5.057 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -16.049344 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: 1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -21.007848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.007848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.007848 (E_RNA) where: Base-Base interactions energy: -3.336 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -17.578603 where: bonds (distance) C4'-P energy: -4.779 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.003 flat angles P-C4'-P energy: -4.514 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: 4 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -20.567764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.567764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.567764 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -20.496874 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -2.894 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: 6, replica: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -19.209580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.209580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.209580 (E_RNA) where: Base-Base interactions energy: 0.242 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.451365 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -3.017 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: 8 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -20.324004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.324004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.324004 (E_RNA) where: Base-Base interactions energy: -4.317 where: short stacking energy: 0.363 Base-Backbone interact. energy: -0.034 local terms energy: -15.973198 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: 0.062 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: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -22.726375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.726375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.726375 (E_RNA) where: Base-Base interactions energy: -2.895 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -19.737293 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -20.075156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.075156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.075156 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.975122 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -1.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -19.867996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.867996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.867996 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.233 local terms energy: -19.634995 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -22.507243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.507243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.507243 (E_RNA) where: Base-Base interactions energy: -4.862 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -17.564872 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.762 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: 2, replica: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -20.792773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.792773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.792773 (E_RNA) where: Base-Base interactions energy: -5.297 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -15.453142 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -3.632 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: 0.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -20.467447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.467447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.467447 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -20.431350 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -20.743370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.743370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.743370 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -20.648124 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -21.951229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.951229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.951229 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -21.824098 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.466 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: 6, replica: 8 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -23.398821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.398821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.398821 (E_RNA) where: Base-Base interactions energy: -0.404 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -22.981237 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -18.940161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.940161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.940161 (E_RNA) where: Base-Base interactions energy: 0.194 where: short stacking energy: 0.194 Base-Backbone interact. energy: -0.000 local terms energy: -19.133713 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -1.832 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -19.107091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.107091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.107091 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -19.078379 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: 0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -20.154101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.154101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.154101 (E_RNA) where: Base-Base interactions energy: -4.712 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -15.385801 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: 1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -18.329137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.329137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.329137 (E_RNA) where: Base-Base interactions energy: 0.404 where: short stacking energy: 0.404 Base-Backbone interact. energy: -0.015 local terms energy: -18.718305 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.002 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: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -23.131283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.131283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.131283 (E_RNA) where: Base-Base interactions energy: -5.543 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -17.575631 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -3.572 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -2.704 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: 2, replica: 2 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -20.075088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.075088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.075088 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -20.039615 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: 0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -20.808475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.808475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.808475 (E_RNA) where: Base-Base interactions energy: 0.274 where: short stacking energy: 0.274 Base-Backbone interact. energy: -0.050 local terms energy: -21.032902 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -19.870913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.870913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.870913 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.061 local terms energy: -19.809956 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -2.077 tors. eta vs tors. theta energy: -1.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -19.830312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.830312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.830312 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.829137 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -3.360 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: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -20.983322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.983322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.983322 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.072 local terms energy: -20.911004 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -3.621 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: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -20.319979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319979 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.319964 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -3.705 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: 8, replica: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -21.846762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.846762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.846762 (E_RNA) where: Base-Base interactions energy: -2.111 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -19.719079 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -21.145784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.145784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.145784 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -21.072546 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -4.045 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: 10, replica: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -20.838360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.838360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.838360 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -20.742135 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.846 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: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -22.794421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.794421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.794421 (E_RNA) where: Base-Base interactions energy: -5.450 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -17.291972 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -4.639 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: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -24.088267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.088267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.088267 (E_RNA) where: Base-Base interactions energy: -4.729 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -19.238591 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: 0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -21.681156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.681156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.681156 (E_RNA) where: Base-Base interactions energy: -5.647 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.218 local terms energy: -15.816336 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: 2.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -20.898611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.898611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.898611 (E_RNA) where: Base-Base interactions energy: -2.729 where: short stacking energy: 0.366 Base-Backbone interact. energy: -0.024 local terms energy: -18.146153 where: bonds (distance) C4'-P energy: -3.259 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -4.758 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: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -21.791872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.791872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.791872 (E_RNA) where: Base-Base interactions energy: -3.462 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -18.310188 where: bonds (distance) C4'-P energy: -3.412 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -2.893 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: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -20.296925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.296925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.296925 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.359 local terms energy: -20.655926 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.178 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: 7, replica: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -22.184722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.184722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.184722 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.184718 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -23.463677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.463677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.463677 (E_RNA) where: Base-Base interactions energy: -4.450 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.005130 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.174 tors. eta vs tors. theta energy: 0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -19.284838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.284838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.284838 (E_RNA) where: Base-Base interactions energy: -4.927 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.089 local terms energy: -14.446565 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -1.396 tors. eta vs tors. theta energy: 1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -18.238658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.238658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.238658 (E_RNA) where: Base-Base interactions energy: -2.145 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -16.011948 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -0.563 flat angles P-C4'-P energy: -3.693 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: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -22.695708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.695708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.695708 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.695707 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.602 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: 2, replica: 1 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -22.401240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.401240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.401240 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.399624 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -22.599365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.599365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.599365 (E_RNA) where: Base-Base interactions energy: 0.182 where: short stacking energy: 0.182 Base-Backbone interact. energy: -0.000 local terms energy: -22.780893 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -4.506 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: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -20.191336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.191336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.191336 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.190169 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -21.542462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.542462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.542462 (E_RNA) where: Base-Base interactions energy: -3.859 where: short stacking energy: 0.448 Base-Backbone interact. energy: -0.004 local terms energy: -17.679886 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: 0.951 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: 6, replica: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -23.060915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.060915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.060915 (E_RNA) where: Base-Base interactions energy: -5.024 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.191 local terms energy: -17.845966 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -0.464 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: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -21.263483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.263483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.263483 (E_RNA) where: Base-Base interactions energy: -1.980 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -19.280646 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -1.730 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: 8, replica: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -18.490868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.490868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.490868 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.144 local terms energy: -18.347317 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -3.140 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: 9, replica: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -19.520889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.520889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.520889 (E_RNA) where: Base-Base interactions energy: -0.876 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.710 local terms energy: -17.935710 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: 0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -19.955634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.955634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.955634 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.955576 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -22.521498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.521498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.521498 (E_RNA) where: Base-Base interactions energy: -3.541 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -18.805603 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -23.245093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.245093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.245093 (E_RNA) where: Base-Base interactions energy: 0.233 where: short stacking energy: 0.233 Base-Backbone interact. energy: -0.001 local terms energy: -23.476675 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -4.798 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: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -22.525046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.525046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.525046 (E_RNA) where: Base-Base interactions energy: -3.409 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.068358 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -4.059 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: 4, replica: 10 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -21.587824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.587824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.587824 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.587818 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -3.222 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: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -20.372367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.372367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.372367 (E_RNA) where: Base-Base interactions energy: 0.216 where: short stacking energy: 0.216 Base-Backbone interact. energy: -0.006 local terms energy: -20.582908 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -3.669 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: 6, replica: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -21.750678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.750678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.750678 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.750660 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.969 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: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -20.223631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.223631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.223631 (E_RNA) where: Base-Base interactions energy: 0.296 where: short stacking energy: 0.296 Base-Backbone interact. energy: -0.012 local terms energy: -20.507688 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -4.201 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: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -19.545648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.545648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.545648 (E_RNA) where: Base-Base interactions energy: -0.870 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -18.565040 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -3.294 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: 9, replica: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -20.307712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.307712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.307712 (E_RNA) where: Base-Base interactions energy: -2.626 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -17.678730 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -2.815 tors. eta vs tors. theta energy: 0.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -18.136600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.136600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.136600 (E_RNA) where: Base-Base interactions energy: 0.033 where: short stacking energy: 0.312 Base-Backbone interact. energy: -0.609 local terms energy: -17.560345 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -1.119 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -24.593721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.593721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.593721 (E_RNA) where: Base-Base interactions energy: -5.199 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.228 local terms energy: -19.166386 where: bonds (distance) C4'-P energy: -3.669 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -4.686 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: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -20.435511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.435511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.435511 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -20.423739 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -21.541643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.541643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.541643 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.384 local terms energy: -21.157907 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -20.389009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.389009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.389009 (E_RNA) where: Base-Base interactions energy: -2.960 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -17.407737 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: 2.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -19.939522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.939522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.939522 (E_RNA) where: Base-Base interactions energy: -5.607 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -14.183400 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -2.808 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: 1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -20.501320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.501320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.501320 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -20.386891 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.194 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -3.976 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: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -20.073131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.073131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.073131 (E_RNA) where: Base-Base interactions energy: 0.939 where: short stacking energy: 0.939 Base-Backbone interact. energy: -0.001 local terms energy: -21.011286 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -1.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -19.347489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.347489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.347489 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -19.306174 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -4.323 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: 9, replica: 6 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -18.841659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.841659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.841659 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.147 local terms energy: -18.694460 where: bonds (distance) C4'-P energy: -4.128 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -0.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -18.690430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.690430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.690430 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.688179 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.220 flat angles P-C4'-P energy: -3.959 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: 1, replica: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -25.933694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.933694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.933694 (E_RNA) where: Base-Base interactions energy: -4.915 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -20.953707 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -4.301 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: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -21.154308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.154308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.154308 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.154265 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -2.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -20.764155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.764155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.764155 (E_RNA) where: Base-Base interactions energy: -5.329 where: short stacking energy: 0.087 Base-Backbone interact. energy: -0.142 local terms energy: -15.292726 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: 2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -20.595215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.595215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.595215 (E_RNA) where: Base-Base interactions energy: -0.721 where: short stacking energy: 0.073 Base-Backbone interact. energy: -0.003 local terms energy: -19.870412 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -2.447 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -21.320830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.320830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.320830 (E_RNA) where: Base-Base interactions energy: -4.465 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.101 local terms energy: -16.754172 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.158 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -21.326297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.326297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.326297 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.326267 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -21.609222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.609222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.609222 (E_RNA) where: Base-Base interactions energy: -5.313 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.276 local terms energy: -16.020876 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: 2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -20.847277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.847277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.847277 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.747346 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -19.043743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.043743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.043743 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.190 local terms energy: -18.853534 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -0.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -18.688643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.688643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.688643 (E_RNA) where: Base-Base interactions energy: -0.515 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.171806 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -2.820 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: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -25.130489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.130489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.130489 (E_RNA) where: Base-Base interactions energy: -2.416 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.714524 where: bonds (distance) C4'-P energy: -3.660 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.082 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: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -21.539121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.539121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.539121 (E_RNA) where: Base-Base interactions energy: -1.851 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.687868 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -22.242828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.242828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.242828 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.241784 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.403 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: 4, replica: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -22.293651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.293651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.293651 (E_RNA) where: Base-Base interactions energy: -4.934 where: short stacking energy: 0.371 Base-Backbone interact. energy: -0.785 local terms energy: -16.575119 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: 1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -20.756951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.756951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.756951 (E_RNA) where: Base-Base interactions energy: -2.751 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -17.906433 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -0.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -22.506718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.506718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.506718 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: 0.160 Base-Backbone interact. energy: -0.075 local terms energy: -15.023811 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -0.064 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -0.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -21.331041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.331041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.331041 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.348 local terms energy: -20.982818 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -21.232385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.232385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.232385 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.232238 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -4.542 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: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -19.769868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.769868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.769868 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.757946 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -19.339302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.339302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.339302 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.335679 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -3.652 flat angles P-C4'-P energy: -4.312 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: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -22.685305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.685305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.685305 (E_RNA) where: Base-Base interactions energy: -4.551 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -17.960223 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -4.911 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: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -25.657900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.657900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.657900 (E_RNA) where: Base-Base interactions energy: -2.515 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.142849 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -3.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -20.374724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.374724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.374724 (E_RNA) where: Base-Base interactions energy: 0.103 where: short stacking energy: 0.103 Base-Backbone interact. energy: -0.086 local terms energy: -20.391344 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -3.573 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: 4, replica: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -19.634398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.634398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.634398 (E_RNA) where: Base-Base interactions energy: -1.195 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -18.388950 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: 0.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -22.653400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.653400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.653400 (E_RNA) where: Base-Base interactions energy: -5.562 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.134 local terms energy: -16.956996 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.689 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: 6, replica: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -22.424090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.424090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.424090 (E_RNA) where: Base-Base interactions energy: -5.689 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -16.693907 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -2.649 tors. eta vs tors. theta energy: 1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -21.195967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.195967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.195967 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -21.182964 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -20.334259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.334259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.334259 (E_RNA) where: Base-Base interactions energy: 0.109 where: short stacking energy: 0.109 Base-Backbone interact. energy: -0.000 local terms energy: -20.443388 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -19.417225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.417225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.417225 (E_RNA) where: Base-Base interactions energy: 0.189 where: short stacking energy: 0.189 Base-Backbone interact. energy: -0.100 local terms energy: -19.505881 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -4.616 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: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -20.457037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.457037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.457037 (E_RNA) where: Base-Base interactions energy: -1.238 where: short stacking energy: 0.494 Base-Backbone interact. energy: -0.077 local terms energy: -19.142072 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -22.288263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.288263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.288263 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -22.284002 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -21.238075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.238075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.238075 (E_RNA) where: Base-Base interactions energy: -0.862 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -20.273681 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -23.295288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.295288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.295288 (E_RNA) where: Base-Base interactions energy: -2.764 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.530938 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -3.744 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: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -21.811745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.811745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.811745 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.808307 where: bonds (distance) C4'-P energy: -4.882 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.458 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: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -20.765011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.765011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.765011 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -20.965010 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -21.496792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.496792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.496792 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -21.492258 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.277 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: 7, replica: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -21.645290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.645290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.645290 (E_RNA) where: Base-Base interactions energy: -4.768 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.184 local terms energy: -16.693725 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: 0.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -19.327893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.327893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.327893 (E_RNA) where: Base-Base interactions energy: -6.165 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.049 local terms energy: -13.114359 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -2.980 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: 9, replica: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -18.872643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.872643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.872643 (E_RNA) where: Base-Base interactions energy: 0.833 where: short stacking energy: 0.833 Base-Backbone interact. energy: -0.000 local terms energy: -19.705377 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -17.871576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.871576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.871576 (E_RNA) where: Base-Base interactions energy: 0.519 where: short stacking energy: 0.519 Base-Backbone interact. energy: -0.000 local terms energy: -18.390914 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -1.795 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -22.622660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.622660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.622660 (E_RNA) where: Base-Base interactions energy: -1.240 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -21.283365 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -4.145 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: 2, replica: 7 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -22.409069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.409069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.409069 (E_RNA) where: Base-Base interactions energy: -4.842 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -17.471116 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: -0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -21.169069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.169069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.169069 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.165939 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.985 flat angles P-C4'-P energy: -4.182 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: 4, replica: 6 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -19.501566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.501566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.501566 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.466763 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: 0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -21.427091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.427091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.427091 (E_RNA) where: Base-Base interactions energy: 0.136 where: short stacking energy: 0.136 Base-Backbone interact. energy: -0.001 local terms energy: -21.561263 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -18.748805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.748805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.748805 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -18.724208 where: bonds (distance) C4'-P energy: -3.917 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -18.442120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.442120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.442120 (E_RNA) where: Base-Base interactions energy: 0.600 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.073 local terms energy: -18.969357 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -2.835 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: 9 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -20.142201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.142201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.142201 (E_RNA) where: Base-Base interactions energy: -3.567 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -16.572853 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: 0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -19.427012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.427012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.427012 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.336604 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.817 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: 2 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -19.968521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.968521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.968521 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -19.942000 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -21.504326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.504326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.504326 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -21.496632 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.457 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: 2, replica: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -21.892541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.892541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.892541 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.892540 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -3.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -21.335591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.335591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.335591 (E_RNA) where: Base-Base interactions energy: -5.028 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -16.226342 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -2.882 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: 4, replica: 10 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -21.057700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.057700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.057700 (E_RNA) where: Base-Base interactions energy: 0.012 where: short stacking energy: 0.012 Base-Backbone interact. energy: -0.000 local terms energy: -21.069453 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -24.758174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.758174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.758174 (E_RNA) where: Base-Base interactions energy: -5.369 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.531 local terms energy: -18.858099 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -4.029 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: 6, replica: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -20.879393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.879393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.879393 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -20.852650 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -0.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -20.370204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.370204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.370204 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.359142 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -0.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -21.519567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.519567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.519567 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -21.505607 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -4.789 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: 9, replica: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -20.991766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.991766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.991766 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -20.943390 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.553 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: 10, replica: 1 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -20.025586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.025586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.025586 (E_RNA) where: Base-Base interactions energy: -5.852 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.238 local terms energy: -13.935458 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -1.443 tors. eta vs tors. theta energy: 0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -23.766714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.766714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.766714 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.766707 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -4.178 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: 2, replica: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -22.626428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.626428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.626428 (E_RNA) where: Base-Base interactions energy: -4.767 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -17.753465 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -4.161 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: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -21.198126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.198126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.198126 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.198125 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -4.481 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: 4, replica: 5 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -21.130539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.130539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.130539 (E_RNA) where: Base-Base interactions energy: -4.274 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -16.794228 where: bonds (distance) C4'-P energy: -4.181 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -2.650 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -1.101 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: 5, replica: 10 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -20.199323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.199323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.199323 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.017 local terms energy: -20.181830 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -0.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -18.680028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.680028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.680028 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -18.664619 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.439 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -4.586 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: 7, replica: 8 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -19.440676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.440676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.440676 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.035 local terms energy: -19.405884 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -19.594633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.594633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.594633 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.594613 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: 0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -19.505298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.505298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.505298 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -19.805003 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -0.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -18.836008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.836008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.836008 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -18.783712 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: 0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -21.723318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.723318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.723318 (E_RNA) where: Base-Base interactions energy: -4.634 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.221 local terms energy: -16.868048 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -1.604 tors. eta vs tors. theta energy: 0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -21.819674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.819674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.819674 (E_RNA) where: Base-Base interactions energy: -5.376 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.061 local terms energy: -16.382784 where: bonds (distance) C4'-P energy: -3.542 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: 0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -21.951817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.951817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.951817 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.951706 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -21.269628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.269628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.269628 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.269483 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -3.266 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: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -22.684070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.684070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.684070 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.683709 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.915 flat angles P-C4'-P energy: -4.353 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: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -20.528121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.528121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.528121 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.040 local terms energy: -19.488002 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: 1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -20.881613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.881613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.881613 (E_RNA) where: Base-Base interactions energy: -3.908 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.074 local terms energy: -16.899608 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -4.010 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: 8, replica: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -20.365220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.365220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.365220 (E_RNA) where: Base-Base interactions energy: 0.048 where: short stacking energy: 0.048 Base-Backbone interact. energy: -0.017 local terms energy: -20.396631 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -19.201797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.201797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.201797 (E_RNA) where: Base-Base interactions energy: 0.220 where: short stacking energy: 0.220 Base-Backbone interact. energy: -0.000 local terms energy: -19.421524 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -4.468 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: 2 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -19.264056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.264056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.264056 (E_RNA) where: Base-Base interactions energy: -2.526 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -16.736071 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -1.583 tors. eta vs tors. theta energy: 1.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -20.594324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.594324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.594324 (E_RNA) where: Base-Base interactions energy: -0.787 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.803687 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -3.506 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: 2, replica: 3 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -21.303186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.303186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.303186 (E_RNA) where: Base-Base interactions energy: -0.439 where: short stacking energy: 0.144 Base-Backbone interact. energy: -1.652 local terms energy: -19.211754 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -3.042 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: 3, replica: 7 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -20.296152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.296152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.296152 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.294279 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -2.007 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -20.831566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.831566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.831566 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -20.723111 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.885 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: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -21.749277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.749277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.749277 (E_RNA) where: Base-Base interactions energy: 0.307 where: short stacking energy: 0.820 Base-Backbone interact. energy: -0.008 local terms energy: -22.048239 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -20.869784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.869784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.869784 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.448 local terms energy: -20.721505 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -20.410326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.410326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.410326 (E_RNA) where: Base-Base interactions energy: 0.215 where: short stacking energy: 0.215 Base-Backbone interact. energy: -0.000 local terms energy: -20.625049 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -2.968 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: 8, replica: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -19.797672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.797672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.797672 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.054 local terms energy: -19.743354 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -4.158 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: 9, replica: 1 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -19.505867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.505867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.505867 (E_RNA) where: Base-Base interactions energy: -1.910 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.319 local terms energy: -16.276837 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -2.139 flat angles P-C4'-P energy: -3.040 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: 10, replica: 2 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -19.858560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.858560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.858560 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.858483 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.038 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: 1, replica: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -21.644124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.644124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.644124 (E_RNA) where: Base-Base interactions energy: -5.749 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -15.786112 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -2.287 tors. eta vs tors. theta energy: 0.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -21.139496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.139496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.139496 (E_RNA) where: Base-Base interactions energy: -2.522 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -18.612027 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -3.748 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: 3, replica: 9 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -20.897322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.897322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.897322 (E_RNA) where: Base-Base interactions energy: -2.883 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -17.925105 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -20.659263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.659263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.659263 (E_RNA) where: Base-Base interactions energy: -5.630 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -14.971680 where: bonds (distance) C4'-P energy: -2.729 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -1.293 tors. eta vs tors. theta energy: 0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -19.749529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.749529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.749529 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -19.691265 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -2.541 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: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -23.678847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.678847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.678847 (E_RNA) where: Base-Base interactions energy: -4.462 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -19.137854 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -4.203 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -21.041500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.041500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.041500 (E_RNA) where: Base-Base interactions energy: -5.712 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.296 local terms energy: -15.033188 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -3.735 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: 8, replica: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -19.763561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.763561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.763561 (E_RNA) where: Base-Base interactions energy: -2.527 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.290 local terms energy: -16.946682 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: 3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -20.442388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.442388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.442388 (E_RNA) where: Base-Base interactions energy: -2.396 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.199 local terms energy: -17.847916 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: 0.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -20.780713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.780713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.780713 (E_RNA) where: Base-Base interactions energy: -0.923 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -19.765175 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: 0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -23.639609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.639609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.639609 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.099 local terms energy: -23.740267 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -24.733415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.733415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.733415 (E_RNA) where: Base-Base interactions energy: -3.223 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -21.508145 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -3.803 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: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -20.767291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.767291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.767291 (E_RNA) where: Base-Base interactions energy: -2.363 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -18.375357 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -19.517391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.517391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.517391 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.111 local terms energy: -19.406726 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.178 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -21.183663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.183663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.183663 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.006 local terms energy: -21.277354 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -3.668 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: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -22.949782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.949782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.949782 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.249737 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -4.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -20.518599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.518599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.518599 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.518598 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -19.078323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.078323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.078323 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.076687 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -0.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -19.539743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.539743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.539743 (E_RNA) where: Base-Base interactions energy: 0.396 where: short stacking energy: 0.396 Base-Backbone interact. energy: -0.000 local terms energy: -19.935589 where: bonds (distance) C4'-P energy: -3.321 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -4.176 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: 10, replica: 1 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -20.248866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.248866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.248866 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.247524 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -3.387 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: 1, replica: 9 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -22.228811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.228811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.228811 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.228810 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -3.918 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: 2, replica: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -22.140745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.140745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.140745 (E_RNA) where: Base-Base interactions energy: -5.637 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -16.403954 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: 2.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -22.790242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.790242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.790242 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -22.761242 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.090 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: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -20.157029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.157029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.157029 (E_RNA) where: Base-Base interactions energy: -1.308 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.849073 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -2.131 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: 5, replica: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -21.702527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.702527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.702527 (E_RNA) where: Base-Base interactions energy: -1.535 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -20.077572 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -24.438971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.438971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.438971 (E_RNA) where: Base-Base interactions energy: -5.226 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -19.182171 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -0.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -19.422740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.422740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.422740 (E_RNA) where: Base-Base interactions energy: -3.418 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -15.897410 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -3.715 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: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -21.514517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.514517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.514517 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -21.404360 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -0.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -21.290927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.290927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.290927 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.290924 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -4.542 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: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -19.674784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.674784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.674784 (E_RNA) where: Base-Base interactions energy: 0.232 where: short stacking energy: 0.232 Base-Backbone interact. energy: -0.000 local terms energy: -19.907136 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.186 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -20.431063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.431063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.431063 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.001 local terms energy: -20.530364 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -3.035 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: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -21.128348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.128348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.128348 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -21.063870 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.302 flat angles P-C4'-P energy: -4.779 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: 3, replica: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -22.240289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.240289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.240289 (E_RNA) where: Base-Base interactions energy: -2.423 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.244 local terms energy: -20.061060 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -4.026 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: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -21.739161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.739161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.739161 (E_RNA) where: Base-Base interactions energy: -5.098 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -16.610667 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -3.754 flat angles P-C4'-P energy: -4.654 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: 5, replica: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -21.362456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.362456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.362456 (E_RNA) where: Base-Base interactions energy: -0.902 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.898 local terms energy: -21.358051 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -20.501785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.501785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.501785 (E_RNA) where: Base-Base interactions energy: 0.023 where: short stacking energy: 0.023 Base-Backbone interact. energy: -0.015 local terms energy: -20.510022 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -2.715 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: 7, replica: 7 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -20.267493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.267493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.267493 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -20.173978 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -19.978948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.978948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.978948 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.978704 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.489 flat angles P-C4'-P energy: -2.961 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: 9, replica: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -19.692149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.692149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.692149 (E_RNA) where: Base-Base interactions energy: -1.806 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.002 local terms energy: -17.884384 where: bonds (distance) C4'-P energy: -3.308 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: 0.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -18.709271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.709271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.709271 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -18.638331 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.847 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: 1, replica: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -22.502222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.502222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.502222 (E_RNA) where: Base-Base interactions energy: -5.214 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.104 local terms energy: -17.184361 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -3.893 flat angles P-C4'-P energy: -3.760 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: 2, replica: 9 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -22.431435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.431435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.431435 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.109 local terms energy: -22.322036 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -21.018817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.018817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.018817 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.018738 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -4.025 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: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -20.913802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.913802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.913802 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.913794 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.661 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: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -21.693523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.693523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.693523 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.693520 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -3.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -21.857810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.857810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.857810 (E_RNA) where: Base-Base interactions energy: -4.123 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -17.702736 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: 2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -20.006167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.006167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.006167 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.168 local terms energy: -19.838135 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.550 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -3.772 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: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -20.216654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.216654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.216654 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.237 local terms energy: -20.453314 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.126 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: 9, replica: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -19.992210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.992210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.992210 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.050 local terms energy: -19.942626 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: 0.230 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: 10, replica: 5 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -18.931171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.931171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.931171 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -18.918079 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -24.837932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.837932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.837932 (E_RNA) where: Base-Base interactions energy: -5.876 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.129 local terms energy: -18.833560 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -4.171 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: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -20.702836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.702836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.702836 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.702806 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: 0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -21.126631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.126631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.126631 (E_RNA) where: Base-Base interactions energy: -3.666 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.474 local terms energy: -15.986726 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: 2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -20.905332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.905332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.905332 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.898356 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -3.391 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: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -20.176082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.176082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.176082 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.176065 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -4.486 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: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -21.333812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.333812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.333812 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -21.305840 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -19.361759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.361759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.361759 (E_RNA) where: Base-Base interactions energy: 0.024 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.000 local terms energy: -19.385660 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -2.807 flat angles P-C4'-P energy: -3.514 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: 441 Temperature: 1.250000 Total energy: -19.371332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.371332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.371332 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.371329 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -3.516 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: 9, replica: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -17.962188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.962188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.962188 (E_RNA) where: Base-Base interactions energy: 0.157 where: short stacking energy: 0.157 Base-Backbone interact. energy: -0.069 local terms energy: -18.050076 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -19.365085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.365085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.365085 (E_RNA) where: Base-Base interactions energy: 0.787 where: short stacking energy: 0.787 Base-Backbone interact. energy: -0.002 local terms energy: -20.150131 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -22.788001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.788001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.788001 (E_RNA) where: Base-Base interactions energy: 0.474 where: short stacking energy: 0.474 Base-Backbone interact. energy: -0.099 local terms energy: -23.163400 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -21.726816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.726816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.726816 (E_RNA) where: Base-Base interactions energy: -5.388 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -16.242421 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -3.143 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: 442 Temperature: 1.000000 Total energy: -22.616148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.616148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.616148 (E_RNA) where: Base-Base interactions energy: -1.717 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.897465 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -21.835419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.835419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.835419 (E_RNA) where: Base-Base interactions energy: -1.935 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -19.880201 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.303 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: 5, replica: 1 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -20.062417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.062417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.062417 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.061932 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.304 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: 6, replica: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -20.737198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.737198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.737198 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -20.732523 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -3.898 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: 7, replica: 10 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -20.435099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.435099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.435099 (E_RNA) where: Base-Base interactions energy: -2.752 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.159 local terms energy: -17.524069 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: 2.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -20.798506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.798506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.798506 (E_RNA) where: Base-Base interactions energy: -2.774 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.023364 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.138 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: 0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -19.781901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.781901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.781901 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -19.726651 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -3.928 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: 7 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -21.218500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.218500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.218500 (E_RNA) where: Base-Base interactions energy: -1.348 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -19.850804 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.521 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: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -22.716113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.716113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.716113 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.713879 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.760 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: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -21.293600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.293600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.293600 (E_RNA) where: Base-Base interactions energy: -4.765 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -16.519325 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: 1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -22.228438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.228438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.228438 (E_RNA) where: Base-Base interactions energy: -5.719 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.065 local terms energy: -16.444302 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -3.665 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: 4, replica: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -21.163096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.163096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.163096 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.163065 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -20.459796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.459796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.459796 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -20.362342 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -2.539 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -22.660607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.660607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.660607 (E_RNA) where: Base-Base interactions energy: -6.635 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.020 local terms energy: -16.006116 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -1.357 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -20.609284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.609284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.609284 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.598762 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -0.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -20.249170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.249170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.249170 (E_RNA) where: Base-Base interactions energy: -4.864 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -15.363517 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -1.935 tors. eta vs tors. theta energy: 0.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -18.422639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.422639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.422639 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -18.342413 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: 0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -20.121254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.121254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.121254 (E_RNA) where: Base-Base interactions energy: -3.568 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -16.399906 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -2.763 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: 444 Temperature: 0.900000 Total energy: -21.616291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.616291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.616291 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -21.606124 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -4.528 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: 2, replica: 8 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -20.990876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.990876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.990876 (E_RNA) where: Base-Base interactions energy: -5.815 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.022 local terms energy: -15.154398 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -3.455 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: 3, replica: 1 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -22.152061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.152061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.152061 (E_RNA) where: Base-Base interactions energy: -1.722 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.427311 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -3.710 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: 4 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -23.073028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.073028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.073028 (E_RNA) where: Base-Base interactions energy: -1.809 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.495 local terms energy: -20.769188 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -4.068 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: 5, replica: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -19.206364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.206364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.206364 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -19.196372 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -2.532 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: 6, replica: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -19.964866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.964866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.964866 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.964737 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -3.958 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: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -19.939166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.939166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.939166 (E_RNA) where: Base-Base interactions energy: -3.608 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -16.248984 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -2.296 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: 8, replica: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -20.348523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.348523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.348523 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.476 local terms energy: -20.824406 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -4.769 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: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -18.832325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.832325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.832325 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -18.729855 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.192 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -0.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -18.708946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.708946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.708946 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.708406 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -21.947267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.947267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.947267 (E_RNA) where: Base-Base interactions energy: -1.646 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -20.270198 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: 0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -22.918072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.918072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.918072 (E_RNA) where: Base-Base interactions energy: -2.043 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.226 local terms energy: -20.648832 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -4.467 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: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -21.912748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.912748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.912748 (E_RNA) where: Base-Base interactions energy: -0.990 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -20.852384 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -0.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -20.037837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.037837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.037837 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.304 local terms energy: -19.734276 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -19.434091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.434091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.434091 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -19.381916 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -20.321007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.321007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.321007 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.129 local terms energy: -20.192198 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -3.976 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: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -18.775993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.775993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.775993 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.775986 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -3.789 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: 8, replica: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -18.491279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.491279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.491279 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -18.400066 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -3.897 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: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -21.197864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.197864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.197864 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.197784 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.665 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: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -16.941291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16.941291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -16.941291 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.034 local terms energy: -15.907168 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -2.582 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -22.653554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.653554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.653554 (E_RNA) where: Base-Base interactions energy: -0.516 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.714 local terms energy: -21.423487 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.904 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: 2, replica: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -21.578832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.578832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.578832 (E_RNA) where: Base-Base interactions energy: 0.540 where: short stacking energy: 0.540 Base-Backbone interact. energy: -0.000 local terms energy: -22.119205 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -19.831942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.831942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.831942 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.784343 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -3.643 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: 4, replica: 8 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -22.906252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.906252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.906252 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -22.829342 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -4.032 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: 5, replica: 5 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -20.930412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.930412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.930412 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.930345 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.663 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: 6, replica: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -19.584474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.584474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.584474 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -19.580621 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: 0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -20.011439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.011439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.011439 (E_RNA) where: Base-Base interactions energy: -0.311 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.700192 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -21.700455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.700455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.700455 (E_RNA) where: Base-Base interactions energy: -2.301 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -19.371565 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: 0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -21.948304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.948304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.948304 (E_RNA) where: Base-Base interactions energy: -3.504 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.443176 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -2.345 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -20.835594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.835594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.835594 (E_RNA) where: Base-Base interactions energy: -1.647 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -19.091419 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.672 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.925 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: 1, replica: 1 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -21.872363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.872363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.872363 (E_RNA) where: Base-Base interactions energy: -5.549 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -16.295738 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -1.309 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: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -24.332743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.332743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.332743 (E_RNA) where: Base-Base interactions energy: -1.727 where: short stacking energy: 0.145 Base-Backbone interact. energy: -0.000 local terms energy: -22.606071 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -2.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -22.943973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.943973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.943973 (E_RNA) where: Base-Base interactions energy: 0.138 where: short stacking energy: 0.138 Base-Backbone interact. energy: -0.015 local terms energy: -23.067695 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -3.280 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: 447 Temperature: 1.050000 Total energy: -21.886060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.886060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.886060 (E_RNA) where: Base-Base interactions energy: -1.341 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.019 local terms energy: -19.526108 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: 0.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -21.482664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.482664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.482664 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.858 local terms energy: -20.624354 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -23.058263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.058263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.058263 (E_RNA) where: Base-Base interactions energy: 0.266 where: short stacking energy: 0.266 Base-Backbone interact. energy: -0.000 local terms energy: -23.324653 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -21.816082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.816082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.816082 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.816074 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -19.703746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.703746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.703746 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.703395 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.903 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: 9, replica: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -19.511728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.511728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.511728 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.477 local terms energy: -18.034357 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -2.346 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: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -20.789465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.789465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.789465 (E_RNA) where: Base-Base interactions energy: -1.554 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.060 local terms energy: -19.175593 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: 0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -20.986692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.986692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.986692 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.097 local terms energy: -20.889959 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -4.668 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: 2, replica: 1 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -21.022938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.022938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.022938 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.022878 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.286 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: 3, replica: 5 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -23.441330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.441330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.441330 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -23.430521 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -4.209 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: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -22.700849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.700849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.700849 (E_RNA) where: Base-Base interactions energy: -3.220 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.122 local terms energy: -19.358577 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -1.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -18.846873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.846873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.846873 (E_RNA) where: Base-Base interactions energy: -1.061 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -17.757462 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: 0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -18.796145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.796145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.796145 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.793344 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -19.974878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.974878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.974878 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -20.074793 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -4.077 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: 8, replica: 4 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -19.730975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.730975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.730975 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -19.582226 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -0.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -19.614063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.614063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.614063 (E_RNA) where: Base-Base interactions energy: -0.919 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.695340 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -4.505 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: 10, replica: 6 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -18.040437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.040437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.040437 (E_RNA) where: Base-Base interactions energy: 0.900 where: short stacking energy: 0.900 Base-Backbone interact. energy: -0.001 local terms energy: -18.939284 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -21.878292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.878292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.878292 (E_RNA) where: Base-Base interactions energy: -5.933 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -15.906404 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: 2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -22.405487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.405487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.405487 (E_RNA) where: Base-Base interactions energy: -4.423 where: short stacking energy: 0.300 Base-Backbone interact. energy: 0.240 local terms energy: -18.222624 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -1.996 flat angles P-C4'-P energy: -3.642 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: 3, replica: 1 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -21.271886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.271886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.271886 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.271884 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -2.878 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: 4, replica: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -22.319312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.319312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.319312 (E_RNA) where: Base-Base interactions energy: -4.350 where: short stacking energy: 0.196 Base-Backbone interact. energy: -0.023 local terms energy: -17.945760 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.837 flat angles P-C4'-P energy: -2.950 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: 5, replica: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -19.769052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.769052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.769052 (E_RNA) where: Base-Base interactions energy: -2.267 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.129 local terms energy: -17.373590 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.178 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: 9 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -21.299078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.299078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.299078 (E_RNA) where: Base-Base interactions energy: -4.849 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.140 local terms energy: -16.309838 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -3.527 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: 7, replica: 7 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -19.856595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.856595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.856595 (E_RNA) where: Base-Base interactions energy: -3.588 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -16.160939 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -4.188 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: 2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -19.637243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.637243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.637243 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.790 local terms energy: -18.847326 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -3.487 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: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -21.226228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.226228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.226228 (E_RNA) where: Base-Base interactions energy: -3.947 where: short stacking energy: 0.042 Base-Backbone interact. energy: -0.064 local terms energy: -17.215833 where: bonds (distance) C4'-P energy: -2.327 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -3.761 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: 10, replica: 6 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -19.291366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.291366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.291366 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.289143 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: 0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -22.194284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.194284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.194284 (E_RNA) where: Base-Base interactions energy: -1.546 where: short stacking energy: 0.205 Base-Backbone interact. energy: -0.001 local terms energy: -20.646965 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -21.458882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.458882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.458882 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.458877 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -4.305 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: 3, replica: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -22.784900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.784900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.784900 (E_RNA) where: Base-Base interactions energy: 0.207 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.001 local terms energy: -22.990300 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -21.791191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.791191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.791191 (E_RNA) where: Base-Base interactions energy: 0.066 where: short stacking energy: 0.066 Base-Backbone interact. energy: -0.070 local terms energy: -21.787827 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -4.210 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: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -19.280393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.280393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.280393 (E_RNA) where: Base-Base interactions energy: -3.776 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -15.415402 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: 1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -20.275877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.275877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.275877 (E_RNA) where: Base-Base interactions energy: 0.700 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.000 local terms energy: -20.975781 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.562 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: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -25.829126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.829126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.829126 (E_RNA) where: Base-Base interactions energy: -5.302 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -20.516085 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.236 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: 8, replica: 3 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -20.602591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.602591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.602591 (E_RNA) where: Base-Base interactions energy: -4.441 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -16.152379 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -3.117 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: 6 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -19.349560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.349560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.349560 (E_RNA) where: Base-Base interactions energy: -2.517 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -16.816884 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.950 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: 1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -19.436667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.436667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.436667 (E_RNA) where: Base-Base interactions energy: 0.566 where: short stacking energy: 0.566 Base-Backbone interact. energy: -0.000 local terms energy: -20.002970 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -23.054759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.054759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.054759 (E_RNA) where: Base-Base interactions energy: -5.866 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -17.125690 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -2.583 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: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -22.866170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.866170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.866170 (E_RNA) where: Base-Base interactions energy: -4.545 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.355 local terms energy: -17.966589 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: 0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -20.570789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.570789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.570789 (E_RNA) where: Base-Base interactions energy: -2.421 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.148456 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -4.455 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: 4, replica: 9 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -21.718948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.718948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.718948 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -21.679850 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -19.641346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.641346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.641346 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.641305 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -2.076 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: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -22.977869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.977869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.977869 (E_RNA) where: Base-Base interactions energy: -5.213 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.004 local terms energy: -17.760090 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -3.361 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -19.567794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.567794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.567794 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.566992 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: 0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -19.069303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.069303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.069303 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.365 local terms energy: -18.704063 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: 0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -18.410677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.410677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.410677 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.408741 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -2.893 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: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -18.653501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.653501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.653501 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -18.586465 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.037 flat angles P-C4'-P energy: -4.778 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: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -22.355873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.355873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.355873 (E_RNA) where: Base-Base interactions energy: -5.633 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.021 local terms energy: -16.743890 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -0.165 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: 2, replica: 5 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -22.852919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.852919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.852919 (E_RNA) where: Base-Base interactions energy: -5.037 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.031 local terms energy: -17.785277 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -4.374 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: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -21.319646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.319646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.319646 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.560 local terms energy: -20.759550 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.561 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: 4, replica: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -23.171988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.171988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.171988 (E_RNA) where: Base-Base interactions energy: -5.996 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.189 local terms energy: -16.986556 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: 1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -22.402637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.402637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.402637 (E_RNA) where: Base-Base interactions energy: 0.179 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.103 local terms energy: -22.478472 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -4.014 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: 6, replica: 2 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -20.680564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.680564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.680564 (E_RNA) where: Base-Base interactions energy: -0.612 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.068243 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -3.160 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: 7, replica: 8 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -22.260044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.260044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.260044 (E_RNA) where: Base-Base interactions energy: -5.867 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.167 local terms energy: -16.225865 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -3.402 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: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -20.791386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.791386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.791386 (E_RNA) where: Base-Base interactions energy: -4.301 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -16.488730 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -1.544 flat angles P-C4'-P energy: -4.054 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: 9, replica: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -20.887672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.887672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.887672 (E_RNA) where: Base-Base interactions energy: -4.558 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.170 local terms energy: -16.159919 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -4.339 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: 10, replica: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -19.086405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.086405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.086405 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.215 local terms energy: -18.871442 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.381 flat angles P-C4'-P energy: -3.704 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: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -22.950226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.950226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.950226 (E_RNA) where: Base-Base interactions energy: -2.300 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.647635 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -0.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -25.742760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.742760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.742760 (E_RNA) where: Base-Base interactions energy: -6.043 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -19.692269 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -20.983229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.983229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.983229 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.974859 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.817 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: 4, replica: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -21.029944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.029944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.029944 (E_RNA) where: Base-Base interactions energy: -1.272 where: short stacking energy: 0.366 Base-Backbone interact. energy: -0.010 local terms energy: -19.747818 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -2.864 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: 453 Temperature: 1.100000 Total energy: -23.142892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.142892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.142892 (E_RNA) where: Base-Base interactions energy: -5.582 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -17.520139 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -3.463 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: 6, replica: 8 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -19.492634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.492634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.492634 (E_RNA) where: Base-Base interactions energy: -0.589 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -18.798372 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.295 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: 7, replica: 2 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -20.290043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.290043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.290043 (E_RNA) where: Base-Base interactions energy: -4.086 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -16.179611 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -2.066 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: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -19.348275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.348275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.348275 (E_RNA) where: Base-Base interactions energy: -0.138 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.181 local terms energy: -19.029751 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: 0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -21.026752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.026752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.026752 (E_RNA) where: Base-Base interactions energy: -1.454 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.472691 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -3.452 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: 10, replica: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -19.466217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.466217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.466217 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.466152 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -2.193 tors. eta vs tors. theta energy: -1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -22.422782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.422782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.422782 (E_RNA) where: Base-Base interactions energy: -5.152 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.092 local terms energy: -17.179007 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -2.798 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: 0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -21.042027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.042027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.042027 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.041757 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -0.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -21.747123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.747123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.747123 (E_RNA) where: Base-Base interactions energy: -2.250 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.045 local terms energy: -19.452447 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.092 flat angles P-C4'-P energy: -4.731 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: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -19.157886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.157886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.157886 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.142676 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -21.291351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.291351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.291351 (E_RNA) where: Base-Base interactions energy: -4.589 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -16.697135 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -4.257 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: 6, replica: 10 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -20.410119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.410119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.410119 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.410041 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -19.714804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.714804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.714804 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -19.687978 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.818 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: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -19.161094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.161094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.161094 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -19.011708 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.755 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -2.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -21.053265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.053265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.053265 (E_RNA) where: Base-Base interactions energy: -5.664 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.588 local terms energy: -14.801848 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: 1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -20.047788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.047788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.047788 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -19.896289 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.030 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -24.553824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.553824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.553824 (E_RNA) where: Base-Base interactions energy: -4.502 where: short stacking energy: 0.316 Base-Backbone interact. energy: -0.082 local terms energy: -19.969049 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -3.066 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: 2, replica: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -23.099273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.099273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.099273 (E_RNA) where: Base-Base interactions energy: -4.729 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.696 local terms energy: -17.674166 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: 0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -27.009265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.009265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.009265 (E_RNA) where: Base-Base interactions energy: -5.228 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -21.769032 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -3.429 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: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -20.630662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.630662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.630662 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.630500 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.681 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: 5, replica: 5 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -19.766965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.766965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.766965 (E_RNA) where: Base-Base interactions energy: -1.667 where: short stacking energy: 1.141 Base-Backbone interact. energy: -0.006 local terms energy: -18.094369 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.721 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -20.582427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.582427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.582427 (E_RNA) where: Base-Base interactions energy: -3.928 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -16.523446 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: 3.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -18.729718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.729718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.729718 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -18.599117 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -20.359221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.359221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.359221 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.352796 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -21.368116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.368116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.368116 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -21.325068 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -18.692670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.692670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.692670 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.056 local terms energy: -18.637069 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -2.431 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: 1, replica: 7 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -23.408524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.408524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.408524 (E_RNA) where: Base-Base interactions energy: -1.636 where: short stacking energy: 0.704 Base-Backbone interact. energy: 0.366 local terms energy: -22.138924 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.003 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: 2, replica: 9 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -20.753605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.753605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.753605 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.653432 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -3.855 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: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -21.916787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.916787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.916787 (E_RNA) where: Base-Base interactions energy: -2.917 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -18.997552 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -3.774 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: 4, replica: 1 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -22.777359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.777359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.777359 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.777354 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -4.590 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: 5, replica: 4 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -20.847001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.847001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.847001 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -20.794066 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -4.952 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: 6, replica: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -21.232871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.232871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.232871 (E_RNA) where: Base-Base interactions energy: -6.070 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.118 local terms energy: -15.044718 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: 3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -19.450274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.450274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.450274 (E_RNA) where: Base-Base interactions energy: 0.837 where: short stacking energy: 0.837 Base-Backbone interact. energy: -0.044 local terms energy: -20.243527 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -18.785763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.785763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.785763 (E_RNA) where: Base-Base interactions energy: -1.904 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -16.847665 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.359 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: 0.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -18.525201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.525201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.525201 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -18.454521 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.509 flat angles P-C4'-P energy: -2.727 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -20.343605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.343605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.343605 (E_RNA) where: Base-Base interactions energy: 0.428 where: short stacking energy: 0.428 Base-Backbone interact. energy: -0.000 local terms energy: -20.771387 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -4.243 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: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -21.063688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.063688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.063688 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -21.012789 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.327 flat angles P-C4'-P energy: -4.290 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: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -21.897926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.897926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.897926 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.088 local terms energy: -21.810345 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -4.465 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: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -19.957729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.957729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.957729 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -19.806297 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -4.229 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: 4, replica: 4 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -20.931792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.931792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.931792 (E_RNA) where: Base-Base interactions energy: -4.141 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.148 local terms energy: -16.642506 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: 2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -21.252439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.252439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.252439 (E_RNA) where: Base-Base interactions energy: -1.039 where: short stacking energy: 0.172 Base-Backbone interact. energy: -0.000 local terms energy: -20.212967 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -2.864 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: 6, replica: 6 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -19.379976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.379976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.379976 (E_RNA) where: Base-Base interactions energy: -2.032 where: short stacking energy: 0.306 Base-Backbone interact. energy: -0.412 local terms energy: -16.935996 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.376 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -18.722904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.722904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.722904 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.207 local terms energy: -18.516353 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -4.506 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: 3 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -18.562757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.562757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.562757 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.561740 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -4.533 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: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -18.768269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.768269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.768269 (E_RNA) where: Base-Base interactions energy: -0.276 where: short stacking energy: 0.288 Base-Backbone interact. energy: -0.000 local terms energy: -18.491846 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -2.921 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: 2 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -19.321777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.321777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.321777 (E_RNA) where: Base-Base interactions energy: 0.836 where: short stacking energy: 0.836 Base-Backbone interact. energy: -0.040 local terms energy: -20.118435 where: bonds (distance) C4'-P energy: -3.868 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.223 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: 1, replica: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -22.010352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.010352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.010352 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -22.410349 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -21.113584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.113584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.113584 (E_RNA) where: Base-Base interactions energy: 0.377 where: short stacking energy: 0.377 Base-Backbone interact. energy: -0.001 local terms energy: -21.490155 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -4.522 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: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -21.729057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.729057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.729057 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.611 local terms energy: -21.117624 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -20.956750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.956750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.956750 (E_RNA) where: Base-Base interactions energy: -1.749 where: short stacking energy: 0.185 Base-Backbone interact. energy: -0.095 local terms energy: -19.112974 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -3.998 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -19.543818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.543818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.543818 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.543818 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.910 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: 6, replica: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -20.669541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.669541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.669541 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -20.644797 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -20.430912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.430912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.430912 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -20.335757 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -4.359 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: 5 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -20.382305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.382305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.382305 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.365807 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -0.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -18.717336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.717336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.717336 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -18.709137 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -18.225571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.225571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.225571 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -18.221135 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.803 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -21.752274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.752274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.752274 (E_RNA) where: Base-Base interactions energy: -0.438 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.054 local terms energy: -20.260673 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.843 flat angles P-C4'-P energy: -4.771 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: 2, replica: 7 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -21.826777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.826777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.826777 (E_RNA) where: Base-Base interactions energy: -4.308 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.313 local terms energy: -17.205510 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -1.291 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: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -21.530277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.530277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.530277 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.114 local terms energy: -21.415838 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -20.734380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.734380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.734380 (E_RNA) where: Base-Base interactions energy: 0.601 where: short stacking energy: 0.601 Base-Backbone interact. energy: -0.003 local terms energy: -21.332250 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -19.899650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.899650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.899650 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.799335 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: 0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -22.292405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.292405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.292405 (E_RNA) where: Base-Base interactions energy: -4.948 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -17.231385 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: 2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -21.536403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.536403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.536403 (E_RNA) where: Base-Base interactions energy: 0.342 where: short stacking energy: 0.342 Base-Backbone interact. energy: -0.464 local terms energy: -21.414336 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -3.909 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: 8, replica: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -19.959000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.959000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.959000 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.042 local terms energy: -20.016812 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.331 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: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -22.146097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.146097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.146097 (E_RNA) where: Base-Base interactions energy: -0.851 where: short stacking energy: 1.737 Base-Backbone interact. energy: -0.073 local terms energy: -21.222260 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.703 flat angles P-C4'-P energy: -3.225 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: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -19.982902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.982902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.982902 (E_RNA) where: Base-Base interactions energy: -4.912 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.333 local terms energy: -14.737669 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -1.629 tors. eta vs tors. theta energy: 1.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -23.271318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.271318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.271318 (E_RNA) where: Base-Base interactions energy: -2.934 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -20.307661 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -2.597 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -22.640325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.640325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.640325 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.640324 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.473 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: 3, replica: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -21.816082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.816082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.816082 (E_RNA) where: Base-Base interactions energy: -4.135 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.351 local terms energy: -17.329868 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.269 flat angles P-C4'-P energy: -4.901 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: 4, replica: 4 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -21.066839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.066839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.066839 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.066839 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -20.550316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.550316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.550316 (E_RNA) where: Base-Base interactions energy: -4.926 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -15.565590 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -1.889 tors. eta vs tors. theta energy: 3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -20.693367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.693367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.693367 (E_RNA) where: Base-Base interactions energy: -2.082 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -18.555909 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: 1.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -19.536448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.536448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.536448 (E_RNA) where: Base-Base interactions energy: -0.219 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -19.175681 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -20.315255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.315255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.315255 (E_RNA) where: Base-Base interactions energy: 0.344 where: short stacking energy: 0.344 Base-Backbone interact. energy: -0.000 local terms energy: -20.659496 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -18.647705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.647705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.647705 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -18.639055 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -19.770948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.770948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.770948 (E_RNA) where: Base-Base interactions energy: -2.384 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.197 local terms energy: -17.189775 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.931 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: 0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -21.442174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.442174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.442174 (E_RNA) where: Base-Base interactions energy: -1.098 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.184 local terms energy: -20.160125 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -21.642131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.642131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.642131 (E_RNA) where: Base-Base interactions energy: -0.259 where: short stacking energy: 0.597 Base-Backbone interact. energy: -0.076 local terms energy: -21.306472 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -3.418 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: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -20.765882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.765882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.765882 (E_RNA) where: Base-Base interactions energy: 0.021 where: short stacking energy: 1.464 Base-Backbone interact. energy: -0.002 local terms energy: -20.784376 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -1.232 tors. eta vs tors. theta energy: -3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -20.793449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.793449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.793449 (E_RNA) where: Base-Base interactions energy: 0.311 where: short stacking energy: 0.311 Base-Backbone interact. energy: -0.852 local terms energy: -20.252578 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: 0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -20.317113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.317113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.317113 (E_RNA) where: Base-Base interactions energy: 0.300 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.003 local terms energy: -20.613906 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -2.705 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: 6, replica: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -20.232195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.232195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.232195 (E_RNA) where: Base-Base interactions energy: -1.515 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.196 local terms energy: -18.912859 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -4.475 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: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -19.514993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.514993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.514993 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.167 local terms energy: -19.348326 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: 0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -19.666446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.666446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.666446 (E_RNA) where: Base-Base interactions energy: -4.676 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.041 local terms energy: -14.949619 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -2.365 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: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -19.073164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.073164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.073164 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.025 local terms energy: -19.048145 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.392 flat angles P-C4'-P energy: -3.921 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: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -18.779180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.779180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.779180 (E_RNA) where: Base-Base interactions energy: 0.141 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -18.896290 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -22.609393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.609393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.609393 (E_RNA) where: Base-Base interactions energy: -0.649 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -21.930286 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -21.385908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.385908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.385908 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.385900 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -3.664 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: 462 Temperature: 1.000000 Total energy: -20.329669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.329669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.329669 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -20.302720 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -21.530581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.530581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.530581 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.484 local terms energy: -21.046781 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -20.278815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.278815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.278815 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -20.265154 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -19.816872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.816872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.816872 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.815064 where: bonds (distance) C4'-P energy: -3.429 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -19.593688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.593688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.593688 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.424 local terms energy: -20.018032 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -18.929647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.929647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.929647 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -18.923010 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.086 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: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -21.711710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.711710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.711710 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.711421 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.317 flat angles P-C4'-P energy: -4.819 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: 10, replica: 5 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -19.481116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.481116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.481116 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.481113 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -1.673 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: 1, replica: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -20.756162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.756162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.756162 (E_RNA) where: Base-Base interactions energy: 0.077 where: short stacking energy: 0.077 Base-Backbone interact. energy: -0.000 local terms energy: -20.833318 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -20.903070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.903070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.903070 (E_RNA) where: Base-Base interactions energy: -2.502 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.685 local terms energy: -17.715276 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -2.576 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: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -21.536152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.536152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.536152 (E_RNA) where: Base-Base interactions energy: 0.437 where: short stacking energy: 0.437 Base-Backbone interact. energy: -0.004 local terms energy: -21.969426 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -3.675 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: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -20.941443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.941443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.941443 (E_RNA) where: Base-Base interactions energy: -0.412 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -20.481522 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.728 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: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -19.863827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.863827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.863827 (E_RNA) where: Base-Base interactions energy: -1.677 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -18.180679 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -21.195757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.195757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.195757 (E_RNA) where: Base-Base interactions energy: 0.593 where: short stacking energy: 0.593 Base-Backbone interact. energy: -0.001 local terms energy: -21.788173 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.493 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: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -18.418900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.418900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.418900 (E_RNA) where: Base-Base interactions energy: -1.584 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -16.829622 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: 1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -18.802196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.802196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.802196 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.802044 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -19.828184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.828184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.828184 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -19.732317 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -19.202704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.202704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.202704 (E_RNA) where: Base-Base interactions energy: 0.085 where: short stacking energy: 0.085 Base-Backbone interact. energy: -0.001 local terms energy: -19.286751 where: bonds (distance) C4'-P energy: -3.660 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.634 flat angles P-C4'-P energy: -3.455 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: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -20.591085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.591085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.591085 (E_RNA) where: Base-Base interactions energy: -0.308 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -20.188383 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.583 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: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -22.732058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.732058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.732058 (E_RNA) where: Base-Base interactions energy: -2.468 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.043 local terms energy: -20.221541 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -4.400 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: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -22.083933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.083933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.083933 (E_RNA) where: Base-Base interactions energy: -5.136 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -16.933379 where: bonds (distance) C4'-P energy: -4.625 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -22.118141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.118141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.118141 (E_RNA) where: Base-Base interactions energy: -1.312 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -20.713060 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -4.626 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: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -20.721145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.721145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.721145 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.720663 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -20.276966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.276966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.276966 (E_RNA) where: Base-Base interactions energy: -2.765 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.510180 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -2.433 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: 10 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -21.113589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.113589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.113589 (E_RNA) where: Base-Base interactions energy: 0.292 where: short stacking energy: 0.292 Base-Backbone interact. energy: -0.074 local terms energy: -21.331138 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.337 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: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -19.377555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.377555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.377555 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.701 local terms energy: -18.676288 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -20.545394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.545394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.545394 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.544095 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -20.235274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.235274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.235274 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -20.137323 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -22.425299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.425299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.425299 (E_RNA) where: Base-Base interactions energy: 0.243 where: short stacking energy: 0.243 Base-Backbone interact. energy: -0.000 local terms energy: -22.668379 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -20.039929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.039929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.039929 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.035551 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -4.127 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: 3, replica: 7 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -21.310988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.310988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.310988 (E_RNA) where: Base-Base interactions energy: -2.005 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -19.284497 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -3.609 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -21.001726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.001726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.001726 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.999777 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.508 flat angles P-C4'-P energy: -4.241 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: 5, replica: 6 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -19.773007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.773007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.773007 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -19.742830 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -3.515 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: 6, replica: 10 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -20.473812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.473812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.473812 (E_RNA) where: Base-Base interactions energy: -2.078 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -18.315012 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.472 flat angles P-C4'-P energy: -3.959 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: 7, replica: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -20.658925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.658925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.658925 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -20.621262 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -4.634 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: 8, replica: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -18.362144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.362144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.362144 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.361798 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.190 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: 9, replica: 9 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -19.234255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.234255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.234255 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.098 local terms energy: -19.136451 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.489 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -19.488586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.488586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.488586 (E_RNA) where: Base-Base interactions energy: 0.017 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -19.439119 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.052 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -20.619787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.619787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.619787 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.618985 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -20.964071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.964071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.964071 (E_RNA) where: Base-Base interactions energy: 0.073 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -21.011247 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -4.923 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: 3, replica: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -24.739009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.739009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.739009 (E_RNA) where: Base-Base interactions energy: -5.247 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.482530 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: 0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -19.689198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.689198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.689198 (E_RNA) where: Base-Base interactions energy: 0.099 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.082 local terms energy: -19.706233 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -20.088173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.088173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.088173 (E_RNA) where: Base-Base interactions energy: 1.164 where: short stacking energy: 1.164 Base-Backbone interact. energy: -0.000 local terms energy: -21.251837 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -2.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -20.304483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.304483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.304483 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -20.300580 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.007 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: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -19.068687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.068687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.068687 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.068253 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.145 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: 8, replica: 4 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -20.219819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.219819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.219819 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.632 local terms energy: -19.588052 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -4.378 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: 1 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -21.292742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.292742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.292742 (E_RNA) where: Base-Base interactions energy: 0.679 where: short stacking energy: 0.679 Base-Backbone interact. energy: -0.001 local terms energy: -21.970885 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -4.240 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: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -18.588010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.588010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.588010 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.357 local terms energy: -18.944825 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: 0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -22.397530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.397530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.397530 (E_RNA) where: Base-Base interactions energy: -2.247 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -20.054299 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.325 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -22.752723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.752723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.752723 (E_RNA) where: Base-Base interactions energy: -3.211 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.031 local terms energy: -19.511361 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -22.336322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.336322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.336322 (E_RNA) where: Base-Base interactions energy: -4.689 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -17.636456 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -2.147 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: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -20.370756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.370756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.370756 (E_RNA) where: Base-Base interactions energy: -1.808 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.062 local terms energy: -18.500113 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: 0.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -19.409846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.409846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.409846 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -19.355149 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: 0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -19.906546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.906546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.906546 (E_RNA) where: Base-Base interactions energy: -5.089 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.169 local terms energy: -14.648782 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.432 flat angles P-C4'-P energy: -3.369 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: 7, replica: 6 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -19.973783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.973783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.973783 (E_RNA) where: Base-Base interactions energy: -5.200 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.007 local terms energy: -14.766398 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -2.398 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -21.868299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.868299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.868299 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.867609 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -19.580082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.580082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.580082 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.578292 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -2.984 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: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -19.958149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.958149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.958149 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -19.863672 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -2.601 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: 1, replica: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -20.660215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.660215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.660215 (E_RNA) where: Base-Base interactions energy: -0.355 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.205164 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -0.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -20.190179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.190179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.190179 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.154 local terms energy: -20.036393 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -19.373220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.373220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.373220 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.372455 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.236 flat angles P-C4'-P energy: -3.791 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: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -21.083397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.083397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.083397 (E_RNA) where: Base-Base interactions energy: -1.252 where: short stacking energy: 0.700 Base-Backbone interact. energy: -0.000 local terms energy: -19.831711 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -19.459839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.459839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.459839 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.447502 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -3.407 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: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -20.715622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.715622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.715622 (E_RNA) where: Base-Base interactions energy: 0.171 where: short stacking energy: 0.171 Base-Backbone interact. energy: -0.068 local terms energy: -20.818524 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -19.353104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.353104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.353104 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.253034 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.056 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -19.741336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.741336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.741336 (E_RNA) where: Base-Base interactions energy: -2.764 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.723 local terms energy: -16.254587 where: bonds (distance) C4'-P energy: -3.098 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -4.360 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: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -18.683123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.683123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.683123 (E_RNA) where: Base-Base interactions energy: -4.371 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.175 local terms energy: -14.136570 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -3.134 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: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -21.219142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.219142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.219142 (E_RNA) where: Base-Base interactions energy: -4.682 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.073 local terms energy: -16.464086 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -0.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -22.733494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.733494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.733494 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.113 local terms energy: -22.620470 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -4.342 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: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -21.825090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.825090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.825090 (E_RNA) where: Base-Base interactions energy: 0.221 where: short stacking energy: 0.221 Base-Backbone interact. energy: -0.031 local terms energy: -22.015887 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -19.884405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.884405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.884405 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -19.848639 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -1.324 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -22.093577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.093577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.093577 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.093561 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -20.921039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.921039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.921039 (E_RNA) where: Base-Base interactions energy: -4.716 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -16.098403 where: bonds (distance) C4'-P energy: -3.088 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: 1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -20.513412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.513412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.513412 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -20.446440 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -20.545291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.545291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.545291 (E_RNA) where: Base-Base interactions energy: -1.500 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.044957 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -1.012 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: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -19.387703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.387703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.387703 (E_RNA) where: Base-Base interactions energy: -4.585 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -14.744706 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.600 flat angles P-C4'-P energy: -3.006 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: 9, replica: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -20.759230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.759230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.759230 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.759137 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -20.413703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.413703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.413703 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.413668 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -3.902 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: 1, replica: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -21.018399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.018399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.018399 (E_RNA) where: Base-Base interactions energy: 0.026 where: short stacking energy: 0.026 Base-Backbone interact. energy: -0.094 local terms energy: -20.951019 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -20.687291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.687291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.687291 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -20.621386 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: 0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -24.179474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.179474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.179474 (E_RNA) where: Base-Base interactions energy: -3.645 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.531797 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.010 flat angles P-C4'-P energy: -4.220 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: 4, replica: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -19.566521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.566521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.566521 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.066 local terms energy: -19.600081 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -4.797 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: 5, replica: 1 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -21.762533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.762533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.762533 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.919 local terms energy: -19.843977 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -2.323 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: 6, replica: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -19.913692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.913692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.913692 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -19.894785 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.418 flat angles C4'-P-C4' energy: -2.829 flat angles P-C4'-P energy: -4.443 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: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -19.176587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.176587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.176587 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -19.099575 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.237 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: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -20.488906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.488906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.488906 (E_RNA) where: Base-Base interactions energy: -1.949 where: short stacking energy: 0.724 Base-Backbone interact. energy: -0.018 local terms energy: -18.521921 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: 0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -20.316248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.316248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.316248 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.016 local terms energy: -20.299805 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -1.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -19.822144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.822144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.822144 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -19.741630 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -22.649648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.649648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.649648 (E_RNA) where: Base-Base interactions energy: -4.861 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.776 local terms energy: -18.564174 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: 0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -21.715041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.715041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.715041 (E_RNA) where: Base-Base interactions energy: -0.297 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -21.393924 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -20.105077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.105077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.105077 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.079 local terms energy: -20.025942 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.022 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -22.022304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.022304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.022304 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -22.022299 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -21.897457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.897457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.897457 (E_RNA) where: Base-Base interactions energy: -1.969 where: short stacking energy: 0.331 Base-Backbone interact. energy: -0.028 local terms energy: -19.900180 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.711 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: 6, replica: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -18.579648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.579648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.579648 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -18.493264 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -20.602914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.602914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.602914 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.888 local terms energy: -19.714701 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -20.287811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.287811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.287811 (E_RNA) where: Base-Base interactions energy: 0.472 where: short stacking energy: 0.472 Base-Backbone interact. energy: -0.081 local terms energy: -20.678847 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -20.545044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.545044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.545044 (E_RNA) where: Base-Base interactions energy: -3.915 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.737 local terms energy: -15.893374 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.009 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: 0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -19.493762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.493762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.493762 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.089 local terms energy: -19.404822 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: 0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -21.002428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.002428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.002428 (E_RNA) where: Base-Base interactions energy: -5.075 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.121 local terms energy: -15.807185 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.826 flat angles P-C4'-P energy: -2.564 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: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -21.391327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.391327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.391327 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.391250 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -23.041881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.041881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.041881 (E_RNA) where: Base-Base interactions energy: -4.704 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.208 local terms energy: -18.130141 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -3.966 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: 4, replica: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -20.905282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.905282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.905282 (E_RNA) where: Base-Base interactions energy: -0.032 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.871649 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -4.610 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: 5, replica: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -20.092610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.092610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.092610 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -20.062800 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -4.319 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: 6, replica: 5 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -20.283551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.283551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.283551 (E_RNA) where: Base-Base interactions energy: -8.494 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -11.699384 where: bonds (distance) C4'-P energy: -3.648 bonds (distance) P-C4' energy: -3.743 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -2.928 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: 7, replica: 4 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -21.001015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.001015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.001015 (E_RNA) where: Base-Base interactions energy: -5.258 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.105 local terms energy: -15.638059 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -1.822 tors. eta vs tors. theta energy: 1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -21.167166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.167166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.167166 (E_RNA) where: Base-Base interactions energy: -5.270 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -15.891764 where: bonds (distance) C4'-P energy: -3.312 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -2.561 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -20.867960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.867960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.867960 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.867956 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -1.274 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -19.730716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.730716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.730716 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.090 local terms energy: -19.640342 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -3.222 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: 2 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -21.500204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.500204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.500204 (E_RNA) where: Base-Base interactions energy: -0.710 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.690528 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -4.436 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: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -20.768369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.768369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.768369 (E_RNA) where: Base-Base interactions energy: -0.707 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.058246 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -2.192 tors. eta vs tors. theta energy: -1.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -20.319766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319766 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.716 local terms energy: -19.603268 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: 0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -22.839397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.839397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.839397 (E_RNA) where: Base-Base interactions energy: -5.128 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.138 local terms energy: -17.573407 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: -4.524 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: 5, replica: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -21.052124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.052124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.052124 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.812 local terms energy: -20.239639 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -3.323 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: 6, replica: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -19.528201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.528201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.528201 (E_RNA) where: Base-Base interactions energy: 0.424 where: short stacking energy: 0.424 Base-Backbone interact. energy: -0.211 local terms energy: -19.740873 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -22.719614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.719614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.719614 (E_RNA) where: Base-Base interactions energy: -5.261 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.027 local terms energy: -17.430928 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: 2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -19.903281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.903281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.903281 (E_RNA) where: Base-Base interactions energy: -5.355 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.614 local terms energy: -15.161998 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: 2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -19.466008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.466008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.466008 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.465874 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -19.910846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.910846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.910846 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.910659 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -2.627 tors. eta vs tors. theta energy: -0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -21.895852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.895852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.895852 (E_RNA) where: Base-Base interactions energy: 0.216 where: short stacking energy: 0.216 Base-Backbone interact. energy: -0.001 local terms energy: -22.111149 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -25.959553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.959553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.959553 (E_RNA) where: Base-Base interactions energy: -4.929 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.000 local terms energy: -21.030961 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -3.296 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: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -21.647808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.647808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.647808 (E_RNA) where: Base-Base interactions energy: -2.429 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.065 local terms energy: -19.153951 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -2.673 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: 4, replica: 10 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -21.655312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.655312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.655312 (E_RNA) where: Base-Base interactions energy: -1.707 where: short stacking energy: 0.300 Base-Backbone interact. energy: -0.080 local terms energy: -19.867567 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.719 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: 4 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -21.665841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.665841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.665841 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.096 local terms energy: -21.570125 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.006 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: 8 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -21.622029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.622029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.622029 (E_RNA) where: Base-Base interactions energy: -2.648 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -18.925187 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.534 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -18.900753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.900753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.900753 (E_RNA) where: Base-Base interactions energy: -0.047 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.016 local terms energy: -18.837760 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.197 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: 8, replica: 5 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -19.880964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.880964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.880964 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.878735 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -4.424 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: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -20.128238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.128238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.128238 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.128077 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.298 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -2.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -20.699154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.699154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.699154 (E_RNA) where: Base-Base interactions energy: 0.536 where: short stacking energy: 0.536 Base-Backbone interact. energy: -0.000 local terms energy: -21.234779 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.173 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: 1, replica: 1 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -22.416228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.416228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.416228 (E_RNA) where: Base-Base interactions energy: -3.951 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.105 local terms energy: -18.570300 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: 0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -23.719363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.719363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.719363 (E_RNA) where: Base-Base interactions energy: -2.693 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -21.011622 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.563 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: 3, replica: 2 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -21.211628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.211628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.211628 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -21.700755 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -2.560 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: 4, replica: 4 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -21.995040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.995040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.995040 (E_RNA) where: Base-Base interactions energy: -2.079 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -19.915445 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -18.971239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.971239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.971239 (E_RNA) where: Base-Base interactions energy: -0.124 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.071 local terms energy: -18.776221 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.334 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -1.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -20.945685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.945685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.945685 (E_RNA) where: Base-Base interactions energy: -3.980 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.169 local terms energy: -16.796479 where: bonds (distance) C4'-P energy: -2.124 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.532 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -19.574281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.574281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.574281 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.070 local terms energy: -19.504496 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: 0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -20.147461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.147461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.147461 (E_RNA) where: Base-Base interactions energy: -1.665 where: short stacking energy: 0.198 Base-Backbone interact. energy: -0.054 local terms energy: -18.428638 where: bonds (distance) C4'-P energy: -4.277 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -3.676 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: 9, replica: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -19.556342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.556342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.556342 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.541340 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -0.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -23.807175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.807175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.807175 (E_RNA) where: Base-Base interactions energy: 0.146 where: short stacking energy: 0.146 Base-Backbone interact. energy: -0.000 local terms energy: -23.953176 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -21.422480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.422480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.422480 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.422374 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.715 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.262 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: 2, replica: 1 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -22.463309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.463309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.463309 (E_RNA) where: Base-Base interactions energy: -2.701 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.102 local terms energy: -19.660393 where: bonds (distance) C4'-P energy: -4.012 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -19.522921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.522921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.522921 (E_RNA) where: Base-Base interactions energy: -5.369 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.194 local terms energy: -13.960329 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -3.039 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: 4, replica: 2 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -20.903848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.903848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.903848 (E_RNA) where: Base-Base interactions energy: 0.196 where: short stacking energy: 0.196 Base-Backbone interact. energy: -0.000 local terms energy: -21.099427 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -4.506 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: 5, replica: 6 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -20.942253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.942253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.942253 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -1.518 local terms energy: -19.424133 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -2.318 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: 6, replica: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -22.279090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.279090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.279090 (E_RNA) where: Base-Base interactions energy: 0.359 where: short stacking energy: 0.359 Base-Backbone interact. energy: -0.000 local terms energy: -22.637999 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -3.711 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: 7, replica: 7 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -21.573770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.573770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.573770 (E_RNA) where: Base-Base interactions energy: -2.676 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.897341 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -20.583714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.583714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.583714 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.583689 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -21.439031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.439031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.439031 (E_RNA) where: Base-Base interactions energy: 0.011 where: short stacking energy: 0.011 Base-Backbone interact. energy: -0.000 local terms energy: -21.449648 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -19.855464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.855464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.855464 (E_RNA) where: Base-Base interactions energy: -5.808 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -14.039709 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -2.102 tors. eta vs tors. theta energy: 0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -22.958764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.958764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.958764 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -1.310 local terms energy: -21.748271 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -1.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -21.588579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.588579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.588579 (E_RNA) where: Base-Base interactions energy: -4.542 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -17.036292 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.594 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -0.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -20.821620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.821620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.821620 (E_RNA) where: Base-Base interactions energy: -0.996 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.256 local terms energy: -19.569068 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: 0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -23.120401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.120401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.120401 (E_RNA) where: Base-Base interactions energy: -5.898 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -17.216169 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -2.380 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: 5, replica: 2 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -21.048859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.048859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.048859 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -20.974150 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -21.321416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.321416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.321416 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.320691 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -21.742420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.742420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.742420 (E_RNA) where: Base-Base interactions energy: 0.367 where: short stacking energy: 0.367 Base-Backbone interact. energy: -0.001 local terms energy: -22.108170 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -2.610 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: 5 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -21.295800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.295800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.295800 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.051 local terms energy: -21.245212 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -4.062 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: 9, replica: 8 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -19.938566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.938566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.938566 (E_RNA) where: Base-Base interactions energy: 0.169 where: short stacking energy: 0.169 Base-Backbone interact. energy: -0.021 local terms energy: -20.085784 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -3.578 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: 3 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -18.978833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.978833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.978833 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.087 local terms energy: -18.891928 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -2.154 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: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -22.421948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.421948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.421948 (E_RNA) where: Base-Base interactions energy: -5.079 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -17.276848 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -3.373 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: 2, replica: 9 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -20.660772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.660772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.660772 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.640659 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -1.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -19.600954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.600954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.600954 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.600729 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: 0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -21.015560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.015560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.015560 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -20.981544 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -21.453602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.453602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.453602 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.149 local terms energy: -21.304712 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -3.761 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: 6, replica: 2 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -19.876345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.876345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.876345 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -19.864722 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -20.319030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319030 (E_RNA) where: Base-Base interactions energy: -4.423 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.176 local terms energy: -15.719530 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -3.501 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: 8, replica: 10 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -19.045994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.045994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.045994 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.041243 where: bonds (distance) C4'-P energy: -2.303 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -18.515096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.515096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.515096 (E_RNA) where: Base-Base interactions energy: 0.087 where: short stacking energy: 0.169 Base-Backbone interact. energy: -0.061 local terms energy: -18.540577 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -17.909216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.909216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.909216 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.908986 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -21.738817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.738817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.738817 (E_RNA) where: Base-Base interactions energy: -5.375 where: short stacking energy: 0.024 Base-Backbone interact. energy: -0.407 local terms energy: -15.956475 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -3.628 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: 6 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -23.005307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.005307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.005307 (E_RNA) where: Base-Base interactions energy: -5.001 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -17.948987 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: 2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -21.865481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.865481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.865481 (E_RNA) where: Base-Base interactions energy: -2.795 where: short stacking energy: 0.067 Base-Backbone interact. energy: -0.116 local terms energy: -18.953808 where: bonds (distance) C4'-P energy: -2.708 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -3.770 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: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -20.307450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.307450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.307450 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.430 local terms energy: -19.877039 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -4.753 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: 5, replica: 4 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -21.009510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.009510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.009510 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -20.902866 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: 0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -19.746034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.746034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.746034 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -19.652850 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -20.038026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.038026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.038026 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.031946 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -3.238 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: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -18.541238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.541238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.541238 (E_RNA) where: Base-Base interactions energy: -2.498 where: short stacking energy: 0.100 Base-Backbone interact. energy: -1.076 local terms energy: -14.966626 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: 3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -20.557840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.557840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.557840 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.551607 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -1.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -19.112344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.112344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.112344 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.112336 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -4.360 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -2.507 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -21.097142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.097142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.097142 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.097133 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -23.584310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.584310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.584310 (E_RNA) where: Base-Base interactions energy: -4.924 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -18.600503 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -4.401 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: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -21.229550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.229550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.229550 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.908 local terms energy: -20.321666 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -20.004620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.004620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.004620 (E_RNA) where: Base-Base interactions energy: 0.002 where: short stacking energy: 0.002 Base-Backbone interact. energy: -0.006 local terms energy: -20.000099 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -3.314 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: 5, replica: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -19.270279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.270279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.270279 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.190 local terms energy: -19.080029 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: 0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -22.015246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.015246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.015246 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -22.013638 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -19.071441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.071441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.071441 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.071176 where: bonds (distance) C4'-P energy: -3.313 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -3.671 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: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -21.222416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.222416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.222416 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.222345 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -2.395 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: 9, replica: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -20.654315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.654315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.654315 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -20.554015 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -2.855 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: 10, replica: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -17.796784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.796784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.796784 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.796484 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: 0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -24.618754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.618754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.618754 (E_RNA) where: Base-Base interactions energy: -5.983 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -18.632873 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -3.311 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: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -22.602010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.602010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.602010 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -22.583594 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -3.478 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: 3, replica: 1 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -24.200430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.200430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.200430 (E_RNA) where: Base-Base interactions energy: -5.177 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -19.005876 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -20.384289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.384289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.384289 (E_RNA) where: Base-Base interactions energy: -3.981 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.077 local terms energy: -16.325690 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.895 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: 481 Temperature: 1.100000 Total energy: -21.259863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.259863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.259863 (E_RNA) where: Base-Base interactions energy: 0.131 where: short stacking energy: 0.131 Base-Backbone interact. energy: -0.004 local terms energy: -21.387196 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -4.109 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: 6, replica: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -20.698197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.698197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.698197 (E_RNA) where: Base-Base interactions energy: -3.113 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.123 local terms energy: -17.461915 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -4.009 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: 7, replica: 4 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -20.637539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.637539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.637539 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.637538 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -3.923 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: 8, replica: 8 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -19.727651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.727651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.727651 (E_RNA) where: Base-Base interactions energy: 0.031 where: short stacking energy: 0.031 Base-Backbone interact. energy: -0.054 local terms energy: -19.703838 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -20.087189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.087189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.087189 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.023 local terms energy: -20.064530 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -20.331333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.331333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.331333 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.007 local terms energy: -20.324495 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -0.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -23.831078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.831078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.831078 (E_RNA) where: Base-Base interactions energy: -9.991 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.208 local terms energy: -13.632366 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: 4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -22.331724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.331724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.331724 (E_RNA) where: Base-Base interactions energy: -4.489 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.824 local terms energy: -17.018119 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -2.364 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: 3, replica: 9 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -20.941570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.941570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.941570 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.052 local terms energy: -20.889610 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.867 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: 4, replica: 1 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -20.700918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.700918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.700918 (E_RNA) where: Base-Base interactions energy: -1.502 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.192528 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -19.453169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.453169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.453169 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.452228 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -20.748630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.748630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.748630 (E_RNA) where: Base-Base interactions energy: 0.005 where: short stacking energy: 0.005 Base-Backbone interact. energy: -0.000 local terms energy: -20.753706 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.140 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: 7, replica: 8 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -19.725128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.725128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.725128 (E_RNA) where: Base-Base interactions energy: -4.693 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -15.029714 where: bonds (distance) C4'-P energy: -3.955 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -0.155 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: 4 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -19.989132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.989132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.989132 (E_RNA) where: Base-Base interactions energy: -1.972 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -17.910000 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -1.702 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: 9, replica: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -19.671564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.671564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.671564 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.671417 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -2.524 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: 10, replica: 3 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -19.581939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.581939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.581939 (E_RNA) where: Base-Base interactions energy: -4.277 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.032 local terms energy: -15.272681 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -1.263 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: 1, replica: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -21.373746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.373746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.373746 (E_RNA) where: Base-Base interactions energy: -1.172 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.103 local terms energy: -20.303881 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -21.803335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.803335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.803335 (E_RNA) where: Base-Base interactions energy: -4.931 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -16.834540 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -2.693 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: 3, replica: 6 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -20.119150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.119150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.119150 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -20.028050 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -22.004691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.004691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.004691 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.003818 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -4.710 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: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -19.937203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.937203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.937203 (E_RNA) where: Base-Base interactions energy: -0.870 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.125 local terms energy: -18.942609 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -1.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -20.511424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.511424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.511424 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -20.483421 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.435 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: 7, replica: 2 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -21.458700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.458700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.458700 (E_RNA) where: Base-Base interactions energy: -5.231 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.039 local terms energy: -16.188239 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -2.746 tors. eta vs tors. theta energy: 1.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -19.337848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.337848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.337848 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.091 local terms energy: -19.247243 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -4.627 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: 9, replica: 4 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -19.660197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.660197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.660197 (E_RNA) where: Base-Base interactions energy: -2.090 where: short stacking energy: 0.040 Base-Backbone interact. energy: -0.110 local terms energy: -17.460228 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.188 flat angles C4'-P-C4' energy: -2.562 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -19.020013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.020013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.020013 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.021 local terms energy: -18.999316 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -25.608106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.608106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.608106 (E_RNA) where: Base-Base interactions energy: -5.604 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.212 local terms energy: -19.791849 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -0.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -22.233235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.233235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.233235 (E_RNA) where: Base-Base interactions energy: -5.943 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.261 local terms energy: -16.029919 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: 2.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -22.017114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.017114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.017114 (E_RNA) where: Base-Base interactions energy: -1.923 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.098 local terms energy: -19.995747 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -1.799 tors. eta vs tors. theta energy: -2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -21.279414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.279414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.279414 (E_RNA) where: Base-Base interactions energy: -1.071 where: short stacking energy: 0.170 Base-Backbone interact. energy: -0.907 local terms energy: -19.301401 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.986 flat angles P-C4'-P energy: -4.752 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: 5, replica: 8 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -19.697385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.697385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.697385 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.015 local terms energy: -19.681987 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.018 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: 6, replica: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -20.808265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.808265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.808265 (E_RNA) where: Base-Base interactions energy: -2.347 where: short stacking energy: 0.519 Base-Backbone interact. energy: -0.065 local terms energy: -18.395820 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -1.856 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -19.302152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.302152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.302152 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.289135 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: 1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -17.990240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.990240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.990240 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -17.890366 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -3.590 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: 9, replica: 3 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -19.811408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.811408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.811408 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.811390 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -2.941 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: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -19.698222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.698222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.698222 (E_RNA) where: Base-Base interactions energy: 0.244 where: short stacking energy: 0.244 Base-Backbone interact. energy: -0.000 local terms energy: -19.942561 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -2.445 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: 9 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -22.073777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.073777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.073777 (E_RNA) where: Base-Base interactions energy: 0.852 where: short stacking energy: 1.840 Base-Backbone interact. energy: -0.005 local terms energy: -22.920626 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.694 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: 2, replica: 5 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -23.150940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.150940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.150940 (E_RNA) where: Base-Base interactions energy: -4.050 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -19.042180 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: 0.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -20.032748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.032748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.032748 (E_RNA) where: Base-Base interactions energy: 0.261 where: short stacking energy: 0.261 Base-Backbone interact. energy: -0.101 local terms energy: -20.192844 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -4.513 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: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -22.843532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.843532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.843532 (E_RNA) where: Base-Base interactions energy: -3.555 where: short stacking energy: 0.328 Base-Backbone interact. energy: -0.011 local terms energy: -19.277983 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -3.998 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -22.051966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.051966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.051966 (E_RNA) where: Base-Base interactions energy: -4.990 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.135 local terms energy: -16.927356 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -4.378 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: 6, replica: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -19.551165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.551165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.551165 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.551155 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -21.740622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.740622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.740622 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -21.738068 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -21.815282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.815282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.815282 (E_RNA) where: Base-Base interactions energy: -1.619 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.030 local terms energy: -20.166920 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.683 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: 9, replica: 2 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -20.024245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.024245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.024245 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.180 local terms energy: -19.844012 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -4.534 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: 10, replica: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -21.137841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.137841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.137841 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.982 local terms energy: -20.355727 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -21.146132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.146132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.146132 (E_RNA) where: Base-Base interactions energy: 0.623 where: short stacking energy: 0.623 Base-Backbone interact. energy: -0.010 local terms energy: -21.758840 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -4.171 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: 2, replica: 9 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -22.739963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.739963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.739963 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -22.731780 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -4.332 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: 8 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -22.728806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.728806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.728806 (E_RNA) where: Base-Base interactions energy: -3.831 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.053 local terms energy: -18.844529 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -4.397 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: 4, replica: 7 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -20.705127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.705127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.705127 (E_RNA) where: Base-Base interactions energy: -4.369 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -16.336091 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: 1.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -20.728066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.728066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.728066 (E_RNA) where: Base-Base interactions energy: -4.879 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.185 local terms energy: -15.664688 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -2.494 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: 0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -20.933666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.933666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.933666 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.932026 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -4.430 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: 3 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -19.260084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.260084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.260084 (E_RNA) where: Base-Base interactions energy: -2.428 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.004 local terms energy: -16.828322 where: bonds (distance) C4'-P energy: -4.294 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -2.819 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: 8, replica: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -21.208804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.208804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.208804 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.208775 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -19.393289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.393289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.393289 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.393283 where: bonds (distance) C4'-P energy: -3.548 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -18.678277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.678277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.678277 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -18.677893 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: 0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -23.751640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.751640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.751640 (E_RNA) where: Base-Base interactions energy: -7.350 where: short stacking energy: 0.600 Base-Backbone interact. energy: -0.071 local terms energy: -16.330677 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -3.087 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: 2, replica: 8 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -20.956212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.956212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.956212 (E_RNA) where: Base-Base interactions energy: 0.078 where: short stacking energy: 0.078 Base-Backbone interact. energy: -0.777 local terms energy: -20.256989 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -0.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -25.115035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.115035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.115035 (E_RNA) where: Base-Base interactions energy: -3.595 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.038 local terms energy: -21.482216 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -1.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -19.514912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.514912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.514912 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.514818 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -20.099215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.099215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.099215 (E_RNA) where: Base-Base interactions energy: -5.214 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.137 local terms energy: -14.748059 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.545 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: 3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -20.245568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.245568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.245568 (E_RNA) where: Base-Base interactions energy: 0.056 where: short stacking energy: 0.056 Base-Backbone interact. energy: -0.003 local terms energy: -20.298324 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -4.166 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: 6 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -19.986475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.986475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.986475 (E_RNA) where: Base-Base interactions energy: -1.957 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -18.028906 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: 1.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -21.122727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.122727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.122727 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.122712 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -3.534 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: 9, replica: 1 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -19.636158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.636158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.636158 (E_RNA) where: Base-Base interactions energy: -2.714 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -16.920925 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: 0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -18.079058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.079058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.079058 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.067 local terms energy: -18.012501 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: 1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -23.201060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.201060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.201060 (E_RNA) where: Base-Base interactions energy: -3.047 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -20.055329 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -19.774459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.774459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.774459 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.769847 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -20.044084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.044084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.044084 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.080 local terms energy: -19.963605 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -3.976 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: 9 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -21.727572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.727572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.727572 (E_RNA) where: Base-Base interactions energy: -4.951 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.131 local terms energy: -16.645725 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -3.786 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: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -20.692218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.692218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.692218 (E_RNA) where: Base-Base interactions energy: 0.121 where: short stacking energy: 0.121 Base-Backbone interact. energy: -0.934 local terms energy: -19.879838 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.877 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: 6, replica: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -21.318413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.318413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.318413 (E_RNA) where: Base-Base interactions energy: -1.384 where: short stacking energy: 0.059 Base-Backbone interact. energy: -0.003 local terms energy: -19.931331 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -2.832 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: 7, replica: 4 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -20.202435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.202435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.202435 (E_RNA) where: Base-Base interactions energy: -5.813 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.093 local terms energy: -14.296054 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: 3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -22.047230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.047230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.047230 (E_RNA) where: Base-Base interactions energy: -2.582 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.107 local terms energy: -19.358415 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: 0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -20.664137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.664137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.664137 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.000 local terms energy: -20.763812 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -18.456620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.456620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.456620 (E_RNA) where: Base-Base interactions energy: -2.327 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.169 local terms energy: -15.960239 where: bonds (distance) C4'-P energy: -1.380 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -3.303 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: 1, replica: 8 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -21.033767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.033767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.033767 (E_RNA) where: Base-Base interactions energy: -0.216 where: short stacking energy: 0.338 Base-Backbone interact. energy: -0.005 local terms energy: -20.812945 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -3.918 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: 2, replica: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -23.258477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.258477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.258477 (E_RNA) where: Base-Base interactions energy: -1.104 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -22.094498 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -2.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -21.974038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.974038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.974038 (E_RNA) where: Base-Base interactions energy: -4.459 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.028 local terms energy: -17.487674 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: 0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -20.636248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.636248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.636248 (E_RNA) where: Base-Base interactions energy: -5.560 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.160 local terms energy: -14.917225 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -2.380 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: 5, replica: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -19.904810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.904810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.904810 (E_RNA) where: Base-Base interactions energy: -0.179 where: short stacking energy: 0.115 Base-Backbone interact. energy: -0.002 local terms energy: -19.724133 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -19.202743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.202743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.202743 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.193515 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: 0.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -19.081615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.081615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.081615 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.013 local terms energy: -19.068580 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -19.744764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.744764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.744764 (E_RNA) where: Base-Base interactions energy: -0.025 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.036 local terms energy: -19.683518 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -18.548010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.548010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.548010 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -18.507580 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -3.585 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: 10, replica: 1 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -19.250983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.250983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.250983 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.005 local terms energy: -19.246357 where: bonds (distance) C4'-P energy: -4.244 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -1.509 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: 490 Temperature: 0.900000 Total energy: -22.062395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.062395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.062395 (E_RNA) where: Base-Base interactions energy: -4.182 where: short stacking energy: 0.265 Base-Backbone interact. energy: -0.025 local terms energy: -17.855087 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -3.736 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: 2, replica: 8 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -22.522742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.522742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.522742 (E_RNA) where: Base-Base interactions energy: -3.191 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.029 local terms energy: -19.302212 where: bonds (distance) C4'-P energy: -3.238 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -4.693 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: 3, replica: 9 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -21.466424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.466424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.466424 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.018 local terms energy: -21.448230 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.500 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: 4, replica: 5 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -21.913500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.913500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.913500 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.912187 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -4.553 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: 5, replica: 3 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -21.639023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.639023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.639023 (E_RNA) where: Base-Base interactions energy: 0.231 where: short stacking energy: 0.231 Base-Backbone interact. energy: -0.048 local terms energy: -21.822265 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -20.613133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.613133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.613133 (E_RNA) where: Base-Base interactions energy: -5.412 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -15.192153 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.231 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: 1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -19.858928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.858928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.858928 (E_RNA) where: Base-Base interactions energy: -2.104 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.471 local terms energy: -17.284063 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -1.647 flat angles P-C4'-P energy: -4.493 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: 8, replica: 7 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -18.866979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.866979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.866979 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -18.808833 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -3.860 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: 9, replica: 1 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -18.824791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.824791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.824791 (E_RNA) where: Base-Base interactions energy: -0.275 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.055 local terms energy: -18.494129 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: 0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -19.246925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.246925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.246925 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -19.245855 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -23.862206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.862206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.862206 (E_RNA) where: Base-Base interactions energy: -5.506 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.084 local terms energy: -18.272642 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -3.740 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: 2, replica: 9 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -22.554375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.554375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.554375 (E_RNA) where: Base-Base interactions energy: -5.278 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.120 local terms energy: -17.157141 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.206 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: 0.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -21.167369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.167369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.167369 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.167265 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.934 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: 4, replica: 3 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -20.789852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.789852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.789852 (E_RNA) where: Base-Base interactions energy: 0.765 where: short stacking energy: 0.765 Base-Backbone interact. energy: -0.000 local terms energy: -21.554995 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.018 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: 5, replica: 5 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -22.496966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.496966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.496966 (E_RNA) where: Base-Base interactions energy: -4.804 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -17.692203 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.350 flat angles P-C4'-P energy: -4.010 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: 6, replica: 2 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -19.863587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.863587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.863587 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.863549 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -3.758 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: 7, replica: 4 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -18.972955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.972955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.972955 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.127 local terms energy: -18.846371 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.776 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: 8, replica: 1 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -19.791130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.791130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.791130 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.791093 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -3.806 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: 9, replica: 7 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -21.030416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.030416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.030416 (E_RNA) where: Base-Base interactions energy: -4.320 where: short stacking energy: 1.200 Base-Backbone interact. energy: -0.065 local terms energy: -16.645045 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: 1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -19.035284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.035284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.035284 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.154 local terms energy: -19.189292 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -0.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -24.771180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.771180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.771180 (E_RNA) where: Base-Base interactions energy: -4.844 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.722 local terms energy: -19.205477 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.672 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: 2, replica: 10 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -21.777682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.777682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.777682 (E_RNA) where: Base-Base interactions energy: -4.255 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.034 local terms energy: -17.489399 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -21.028830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.028830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.028830 (E_RNA) where: Base-Base interactions energy: -5.682 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.153 local terms energy: -15.194692 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -1.173 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: 0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -20.172782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.172782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.172782 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -20.131004 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -21.982547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.982547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.982547 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.982524 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -19.815386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.815386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.815386 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -19.809406 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -19.695932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.695932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.695932 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.100 Base-Backbone interact. energy: -0.001 local terms energy: -19.794615 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -19.653683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.653683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.653683 (E_RNA) where: Base-Base interactions energy: -4.869 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.060 local terms energy: -14.845209 where: bonds (distance) C4'-P energy: -1.246 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -2.558 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: 9, replica: 6 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -20.303604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.303604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.303604 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.302200 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -19.858435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.858435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.858435 (E_RNA) where: Base-Base interactions energy: 0.100 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.376 local terms energy: -20.333999 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -1.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -21.964988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.964988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.964988 (E_RNA) where: Base-Base interactions energy: -5.853 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.472 local terms energy: -15.639922 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: 2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -25.091698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.091698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.091698 (E_RNA) where: Base-Base interactions energy: -4.394 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.096 local terms energy: -20.794360 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -20.630852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.630852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.630852 (E_RNA) where: Base-Base interactions energy: -4.307 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.139 local terms energy: -16.185290 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: 3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -20.318267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.318267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.318267 (E_RNA) where: Base-Base interactions energy: -2.610 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.335 local terms energy: -17.372842 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: 1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -20.922456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.922456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.922456 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.919158 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -2.868 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: 6, replica: 1 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -20.141795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.141795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.141795 (E_RNA) where: Base-Base interactions energy: 0.045 where: short stacking energy: 0.045 Base-Backbone interact. energy: -0.098 local terms energy: -20.089306 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.827 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: 7, replica: 5 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -21.182278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.182278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.182278 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.182274 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.651 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: 8, replica: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -19.605804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.605804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.605804 (E_RNA) where: Base-Base interactions energy: -4.531 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -14.994172 where: bonds (distance) C4'-P energy: -2.957 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -2.928 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: 9, replica: 4 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -19.957167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.957167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.957167 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.957103 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: 0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -20.193900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.193900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.193900 (E_RNA) where: Base-Base interactions energy: 0.493 where: short stacking energy: 0.493 Base-Backbone interact. energy: -0.046 local terms energy: -20.640699 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -4.767 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: 1, replica: 3 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -22.596739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.596739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.596739 (E_RNA) where: Base-Base interactions energy: -3.939 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.106 local terms energy: -18.552025 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -3.661 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: 2, replica: 9 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -23.589248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.589248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.589248 (E_RNA) where: Base-Base interactions energy: -2.586 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.179 local terms energy: -20.824278 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.979 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -1.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -21.814229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.814229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.814229 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.010 local terms energy: -21.804099 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -21.795290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.795290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.795290 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.794126 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -2.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -20.347856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.347856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.347856 (E_RNA) where: Base-Base interactions energy: -0.556 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.000 local terms energy: -19.792004 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -20.355030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.355030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.355030 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.354984 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -0.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -19.656430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.656430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.656430 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.024 local terms energy: -19.632348 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -19.455761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.455761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.455761 (E_RNA) where: Base-Base interactions energy: -0.094 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.352164 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: 0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -18.405064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.405064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.405064 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.268 local terms energy: -18.137270 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: 1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -18.306060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.306060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.306060 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.112 local terms energy: -18.194486 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -21.972512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.972512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.972512 (E_RNA) where: Base-Base interactions energy: -4.150 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.821930 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: -0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -24.197101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.197101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.197101 (E_RNA) where: Base-Base interactions energy: -3.800 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.008 local terms energy: -20.389236 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -20.392116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.392116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.392116 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.392091 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.566 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: 4, replica: 1 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -20.944259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.944259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.944259 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.020 local terms energy: -20.924750 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.158 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: 5, replica: 10 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -20.094259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.094259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.094259 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.003 local terms energy: -20.091553 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.038 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -21.295491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.295491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.295491 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -21.247469 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -4.690 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: 7, replica: 8 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -19.585253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.585253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.585253 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.486051 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -3.522 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: 7 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -20.093964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.093964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.093964 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -19.994445 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -4.194 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: 5 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -19.645137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.645137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.645137 (E_RNA) where: Base-Base interactions energy: -1.913 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -17.623484 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: 1.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -19.738676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.738676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.738676 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.058 local terms energy: -19.680359 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.203 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: 1, replica: 9 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -22.022837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.022837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.022837 (E_RNA) where: Base-Base interactions energy: 0.398 where: short stacking energy: 0.398 Base-Backbone interact. energy: -0.780 local terms energy: -21.640555 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -2.591 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: 2, replica: 3 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -20.082560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.082560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.082560 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.108 local terms energy: -19.974608 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -20.149251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.149251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.149251 (E_RNA) where: Base-Base interactions energy: -5.244 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.255 local terms energy: -14.650190 where: bonds (distance) C4'-P energy: -3.660 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: 2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -19.602574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.602574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.602574 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.602572 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.108 flat angles P-C4'-P energy: -3.962 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: 496 Temperature: 1.100000 Total energy: -21.691137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.691137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.691137 (E_RNA) where: Base-Base interactions energy: -1.466 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.223831 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -2.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -20.236099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.236099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.236099 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.006 local terms energy: -20.229602 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -2.839 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: 7, replica: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -22.697104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.697104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.697104 (E_RNA) where: Base-Base interactions energy: -4.351 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.014 local terms energy: -18.332166 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -19.937365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.937365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.937365 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.124 local terms energy: -19.813597 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -20.318329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.318329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.318329 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.066 local terms energy: -20.252577 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -3.692 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: 5 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -21.073669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.073669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.073669 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.081 local terms energy: -20.992717 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -24.412095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.412095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.412095 (E_RNA) where: Base-Base interactions energy: -5.823 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.142 local terms energy: -18.447928 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: 0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -19.864497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.864497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.864497 (E_RNA) where: Base-Base interactions energy: 0.320 where: short stacking energy: 0.320 Base-Backbone interact. energy: -0.000 local terms energy: -20.184186 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -4.331 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: 3, replica: 3 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -21.413643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.413643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.413643 (E_RNA) where: Base-Base interactions energy: -0.896 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.517263 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -1.494 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: 4, replica: 6 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -21.540377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.540377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.540377 (E_RNA) where: Base-Base interactions energy: -3.869 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -17.614297 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.549 flat angles P-C4'-P energy: -3.879 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: 5, replica: 2 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -21.748237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.748237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.748237 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.026 local terms energy: -21.722068 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -4.439 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: 6, replica: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -19.159889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.159889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.159889 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.601 local terms energy: -18.558793 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: 0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -20.496919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.496919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.496919 (E_RNA) where: Base-Base interactions energy: 0.632 where: short stacking energy: 0.632 Base-Backbone interact. energy: -0.000 local terms energy: -21.129091 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: -4.128 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: 8, replica: 4 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -19.519140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.519140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.519140 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.517637 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -20.004999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.004999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.004999 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.048 local terms energy: -19.957303 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -3.942 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: 10, replica: 5 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -19.146355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.146355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.146355 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.144834 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -21.729847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.729847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.729847 (E_RNA) where: Base-Base interactions energy: -3.691 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.064 local terms energy: -17.975272 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -3.171 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: 2, replica: 9 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -23.532471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.532471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.532471 (E_RNA) where: Base-Base interactions energy: 0.991 where: short stacking energy: 0.991 Base-Backbone interact. energy: -0.099 local terms energy: -24.423895 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -20.782998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.782998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.782998 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -20.773610 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -21.851036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.851036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.851036 (E_RNA) where: Base-Base interactions energy: -0.080 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.770137 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -21.341054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.341054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.341054 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -21.340186 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.897 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: 6, replica: 2 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -20.082184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.082184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.082184 (E_RNA) where: Base-Base interactions energy: -0.238 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.075 local terms energy: -19.770062 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.161 flat angles P-C4'-P energy: -4.173 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: 7, replica: 4 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -19.893627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.893627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.893627 (E_RNA) where: Base-Base interactions energy: -3.895 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.151 local terms energy: -15.847528 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.141 flat angles P-C4'-P energy: -2.336 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: 8, replica: 7 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -19.768055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.768055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.768055 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.767991 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.052 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -1.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -19.322368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.322368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.322368 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.099 local terms energy: -19.223604 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: 1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -19.970043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.970043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.970043 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -19.968466 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -22.953881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.953881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.953881 (E_RNA) where: Base-Base interactions energy: -2.017 where: short stacking energy: 0.447 Base-Backbone interact. energy: -0.001 local terms energy: -20.936473 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -21.830870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.830870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.830870 (E_RNA) where: Base-Base interactions energy: -2.300 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.287 local terms energy: -19.244405 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -2.743 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: 9 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -21.343663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.343663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.343663 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.343662 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -21.911744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.911744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.911744 (E_RNA) where: Base-Base interactions energy: -5.880 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.128 local terms energy: -15.903558 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: 1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -21.147578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.147578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.147578 (E_RNA) where: Base-Base interactions energy: 0.016 where: short stacking energy: 0.016 Base-Backbone interact. energy: -0.000 local terms energy: -21.163252 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -19.177653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.177653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.177653 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -19.618408 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: 0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -20.923438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.923438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.923438 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.078 local terms energy: -20.845594 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -18.374703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.374703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.374703 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.110 local terms energy: -18.265143 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.244 flat angles P-C4'-P energy: -2.676 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: 9, replica: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -20.274859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.274859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.274859 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -20.274280 where: bonds (distance) C4'-P energy: -4.903 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.264 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -18.986658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.986658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.986658 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.083 local terms energy: -18.904066 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: 0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -21.906104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.906104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.906104 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -21.906104 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -22.878760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.878760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.878760 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -22.793092 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -20.708839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.708839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.708839 (E_RNA) where: Base-Base interactions energy: 0.142 where: short stacking energy: 0.142 Base-Backbone interact. energy: -0.000 local terms energy: -20.851143 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -4.263 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: 4, replica: 9 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -23.009051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.009051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.009051 (E_RNA) where: Base-Base interactions energy: -2.729 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.280243 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -4.816 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: 5, replica: 4 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -20.104454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.104454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.104454 (E_RNA) where: Base-Base interactions energy: -1.011 where: short stacking energy: 0.055 Base-Backbone interact. energy: -0.005 local terms energy: -19.088825 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -3.252 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: 3 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -19.025110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.025110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.025110 (E_RNA) where: Base-Base interactions energy: -0.201 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.012 local terms energy: -18.813000 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -1.664 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: 7, replica: 5 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -19.528898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.528898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.528898 (E_RNA) where: Base-Base interactions energy: -3.300 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.100 local terms energy: -16.128668 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -1.678 tors. eta vs tors. theta energy: 1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -22.947030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.947030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.947030 (E_RNA) where: Base-Base interactions energy: 0.200 where: short stacking energy: 0.200 Base-Backbone interact. energy: -0.000 local terms energy: -23.146895 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -19.744497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.744497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.744497 (E_RNA) where: Base-Base interactions energy: -3.495 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.059 local terms energy: -16.190405 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: 3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -19.379548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.379548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.379548 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.379493 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -22.656044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.656044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.656044 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -22.655242 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -2.934 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: 10 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -21.300107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.300107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.300107 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.086 local terms energy: -21.213683 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.254 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: 3, replica: 1 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -21.337263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.337263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.337263 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.011 local terms energy: -21.326260 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -19.914460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.914460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.914460 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.622 local terms energy: -19.292323 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -4.006 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: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -21.099704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.099704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.099704 (E_RNA) where: Base-Base interactions energy: -0.592 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.931 local terms energy: -19.576048 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -4.209 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: 6, replica: 5 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -19.788527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.788527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.788527 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.042 local terms energy: -19.746303 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -20.559520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.559520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.559520 (E_RNA) where: Base-Base interactions energy: 0.137 where: short stacking energy: 0.137 Base-Backbone interact. energy: -0.001 local terms energy: -20.695803 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -0.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -18.514817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.514817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.514817 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.019 local terms energy: -18.495754 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -2.895 flat angles P-C4'-P energy: -4.008 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: 9, replica: 2 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -18.897406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.897406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.897406 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.057 local terms energy: -18.839982 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -18.834607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.834607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.834607 (E_RNA) where: Base-Base interactions energy: -3.107 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.344 local terms energy: -15.383152 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -2.531 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) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 8285261 moves confirmed later: 11381284 all moves confirmed: 19666545 percent of confirmed moves: 2.458318 current total energy: -11.234368 recalc. total energy: -11.234368 replica 6 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 8307734 moves confirmed later: 11392750 all moves confirmed: 19700484 percent of confirmed moves: 2.462560 current total energy: -19.406856 recalc. total energy: -19.406856 replica 4 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 8293932 moves confirmed later: 11387385 all moves confirmed: 19681317 percent of confirmed moves: 2.460165 current total energy: -5.739474 recalc. total energy: -5.739474 replica 1 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 8293337 moves confirmed later: 11388466 all moves confirmed: 19681803 percent of confirmed moves: 2.460225 current total energy: -10.119218 recalc. total energy: -10.119218 replica 5 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 8300025 moves confirmed later: 11386832 all moves confirmed: 19686857 percent of confirmed moves: 2.460857 current total energy: -7.707063 recalc. total energy: -7.707063 replica 9 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 8292963 moves confirmed later: 11390994 all moves confirmed: 19683957 percent of confirmed moves: 2.460495 current total energy: -14.499739 recalc. total energy: -14.499739 replica 3 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 8297233 moves confirmed later: 11392003 all moves confirmed: 19689236 percent of confirmed moves: 2.461155 current total energy: -12.458702 recalc. total energy: -12.458702 replica 8 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 8295449 moves confirmed later: 11383704 all moves confirmed: 19679153 percent of confirmed moves: 2.459894 current total energy: 1.589459 recalc. total energy: 1.589459 replica 7 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 8292209 moves confirmed later: 11386597 all moves confirmed: 19678806 percent of confirmed moves: 2.459851 current total energy: -9.448905 recalc. total energy: -9.448905 replica 2 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 8288080 moves confirmed later: 11392696 all moves confirmed: 19680776 percent of confirmed moves: 2.460097 current total energy: -11.452882 recalc. total energy: -11.452882 out arg RESULTS//1/2rqc_rna-4cab2069_01 Time of doing 8000000 iterations: 413.198 seconds